REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2v7q_1_D DATA FIRST_RESID 9 DATA SEQUENCE TTGRIVAVIG AVVDVQFDEG LPPILNALEV QGRETRLVLE VAQHLGESTV DATA SEQUENCE RTIAMDGTEG LVRGQKVLDS GAPIRIPVGP ETLGRIMNVI GEPIDERGPI DATA SEQUENCE KTKQFAAIHA EAPEFVEMSV EQEILVTGIK VVDLLAPYAK GGKIGLFGGA DATA SEQUENCE GVGKTVLIME LINNVAKAHG GYSVFAGVGE RTREGNDLYH EMIESGVINL DATA SEQUENCE KDATSKVALV YGQMNEPPGA RARVALTGLT VAEYFRDQEG QDVLLFIDNI DATA SEQUENCE FRFTQAGSEV SALLGRIPSA VGYQPTLATD MGTMQERITT TKKGSITSVQ DATA SEQUENCE AIYVPADDLT DPAPATTFAH LDATTVLSRA IAELGIYPAV DPLDSTSRIM DATA SEQUENCE DPNIVGSEHY DVARGVQKIL QDYKSLQDII AILGMDELSE EDKLTVSRAR DATA SEQUENCE KIQRFLSQPF QVAEVFTGHL GKLVPLKETI KGFQQILAGE YDHLPEQAFY DATA SEQUENCE MVGPIEEAVA KADKLAEEH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 T HA 0.000 nan 4.350 nan 0.000 0.228 9 T C 0.000 174.828 174.700 0.214 0.000 1.109 9 T CA 0.000 62.170 62.100 0.116 0.000 1.349 9 T CB 0.000 68.935 68.868 0.111 0.000 0.612 10 T N 2.187 116.844 114.554 0.172 0.000 2.797 10 T HA 0.704 5.055 4.350 0.000 0.000 0.279 10 T C 0.441 175.064 174.700 -0.129 0.000 0.991 10 T CA -0.521 61.617 62.100 0.063 0.000 0.979 10 T CB 1.516 70.382 68.868 -0.004 0.000 0.943 10 T HN 0.834 nan 8.240 nan 0.000 0.444 11 G N 1.864 110.326 108.800 -0.563 0.000 2.667 11 G HA2 0.748 4.708 3.960 0.000 0.000 0.310 11 G HA3 0.748 4.708 3.960 0.000 0.000 0.310 11 G C -1.059 173.515 174.900 -0.544 0.000 1.259 11 G CA -1.095 43.321 45.100 -1.140 0.000 1.019 11 G HN 0.629 nan 8.290 nan 0.000 0.496 12 R N -0.516 119.715 120.500 -0.449 0.000 2.575 12 R HA 0.379 4.719 4.340 0.000 0.000 0.293 12 R C -0.561 175.622 176.300 -0.196 0.000 0.983 12 R CA -0.776 55.179 56.100 -0.241 0.000 0.887 12 R CB 2.459 32.661 30.300 -0.163 0.000 1.184 12 R HN 0.381 nan 8.270 nan 0.000 0.445 13 I N 2.916 123.407 120.570 -0.132 0.000 2.683 13 I HA -0.112 4.058 4.170 0.000 0.000 0.286 13 I C 1.503 177.579 176.117 -0.068 0.000 1.175 13 I CA 0.248 61.497 61.300 -0.085 0.000 1.429 13 I CB 0.842 38.808 38.000 -0.056 0.000 1.371 13 I HN 0.591 nan 8.210 nan 0.000 0.569 14 V N 2.851 122.734 119.914 -0.052 0.000 3.572 14 V HA 0.601 4.721 4.120 0.000 0.000 0.260 14 V C 0.506 176.586 176.094 -0.024 0.000 1.324 14 V CA 0.420 62.697 62.300 -0.038 0.000 1.068 14 V CB 0.279 32.080 31.823 -0.036 0.000 0.837 14 V HN 0.723 nan 8.190 nan 0.000 0.450 15 A N -0.092 122.717 122.820 -0.018 0.000 2.549 15 A HA 0.831 5.151 4.320 0.000 0.000 0.297 15 A C -1.269 176.310 177.584 -0.008 0.000 1.061 15 A CA -0.412 51.619 52.037 -0.011 0.000 0.690 15 A CB 2.281 21.278 19.000 -0.005 0.000 1.287 15 A HN 0.589 nan 8.150 nan 0.000 0.402 16 V N 2.371 122.281 119.914 -0.006 0.000 2.525 16 V HA 0.537 4.657 4.120 0.000 0.000 0.299 16 V C -0.809 175.284 176.094 -0.002 0.000 1.034 16 V CA -0.087 62.211 62.300 -0.003 0.000 0.863 16 V CB 1.333 33.153 31.823 -0.005 0.000 0.999 16 V HN 0.708 nan 8.190 nan 0.000 0.423 17 I N 4.357 124.927 120.570 0.001 0.000 2.517 17 I HA 0.611 4.781 4.170 0.000 0.000 0.280 17 I C 0.987 177.104 176.117 0.001 0.000 1.061 17 I CA -0.056 61.244 61.300 0.001 0.000 1.091 17 I CB 1.421 39.421 38.000 0.001 0.000 1.205 17 I HN 0.857 nan 8.210 nan 0.000 0.459 18 G N 4.598 113.399 108.800 0.001 0.000 2.611 18 G HA2 -0.373 3.587 3.960 0.000 0.000 0.301 18 G HA3 -0.373 3.587 3.960 0.000 0.000 0.301 18 G C 0.940 175.841 174.900 0.003 0.000 1.233 18 G CA 0.560 45.661 45.100 0.001 0.000 0.993 18 G HN 0.850 nan 8.290 nan 0.000 0.553 19 A N -0.767 122.055 122.820 0.003 0.000 2.239 19 A HA 0.505 4.825 4.320 0.000 0.000 0.209 19 A C 1.036 178.625 177.584 0.007 0.000 1.171 19 A CA 1.774 53.814 52.037 0.005 0.000 0.768 19 A CB -0.114 18.887 19.000 0.002 0.000 0.790 19 A HN 1.419 nan 8.150 nan 0.000 0.478 20 V N 0.907 120.825 119.914 0.006 0.000 2.370 20 V HA 0.411 4.531 4.120 0.000 0.000 0.283 20 V C -0.587 175.513 176.094 0.010 0.000 1.023 20 V CA -0.432 61.873 62.300 0.009 0.000 0.857 20 V CB 1.377 33.205 31.823 0.007 0.000 0.985 20 V HN 0.068 nan 8.190 nan 0.000 0.443 21 V N 3.990 123.913 119.914 0.015 0.000 2.531 21 V HA 0.498 4.618 4.120 0.000 0.000 0.301 21 V C -0.844 175.262 176.094 0.020 0.000 1.034 21 V CA -0.794 61.514 62.300 0.013 0.000 0.865 21 V CB 2.153 33.983 31.823 0.012 0.000 0.995 21 V HN 0.797 nan 8.190 nan 0.000 0.424 22 D N 3.129 123.536 120.400 0.012 0.000 2.177 22 D HA 0.646 5.286 4.640 0.000 0.000 0.247 22 D C -0.593 175.707 176.300 0.001 0.000 1.063 22 D CA -0.093 53.917 54.000 0.017 0.000 0.867 22 D CB 2.293 43.100 40.800 0.011 0.000 1.168 22 D HN 0.268 nan 8.370 nan 0.000 0.445 23 V N 1.916 121.840 119.914 0.018 0.000 2.638 23 V HA 0.309 4.429 4.120 0.000 0.000 0.306 23 V C -0.295 175.781 176.094 -0.030 0.000 1.052 23 V CA -0.900 61.373 62.300 -0.045 0.000 0.885 23 V CB 2.082 33.888 31.823 -0.028 0.000 0.999 23 V HN 0.402 nan 8.190 nan 0.000 0.424 24 Q N 2.715 122.427 119.800 -0.146 0.000 2.282 24 Q HA 0.666 5.006 4.340 0.000 0.000 0.260 24 Q C -1.991 173.864 176.000 -0.241 0.000 0.964 24 Q CA -0.498 55.255 55.803 -0.083 0.000 0.880 24 Q CB 1.662 30.361 28.738 -0.066 0.000 1.286 24 Q HN 0.641 nan 8.270 nan 0.000 0.445 25 F N 2.044 121.964 119.950 -0.051 0.000 2.507 25 F HA 0.239 4.766 4.527 0.000 0.000 0.325 25 F C 0.761 176.536 175.800 -0.042 0.000 1.116 25 F CA -0.664 57.308 58.000 -0.046 0.000 0.930 25 F CB 1.784 40.749 39.000 -0.058 0.000 1.146 25 F HN 0.629 nan 8.300 nan 0.000 0.447 26 D N 1.293 121.758 120.400 0.109 0.000 2.123 26 D HA -0.098 4.542 4.640 0.000 0.000 0.200 26 D C 1.421 177.761 176.300 0.066 0.000 0.976 26 D CA 1.371 55.406 54.000 0.060 0.000 0.831 26 D CB 0.399 41.215 40.800 0.025 0.000 0.974 26 D HN 0.727 nan 8.370 nan 0.000 0.469 27 E N -0.368 119.885 120.200 0.089 0.000 2.720 27 E HA 0.271 4.621 4.350 0.000 0.000 0.260 27 E C 0.624 177.243 176.600 0.032 0.000 0.967 27 E CA -0.103 56.328 56.400 0.051 0.000 1.055 27 E CB 0.248 29.972 29.700 0.040 0.000 2.411 27 E HN 0.020 nan 8.360 nan 0.000 0.570 28 G N 1.478 110.287 108.800 0.016 0.000 2.349 28 G HA2 0.398 4.359 3.960 0.000 0.000 0.281 28 G HA3 0.398 4.359 3.960 0.000 0.000 0.281 28 G C -1.017 173.771 174.900 -0.186 0.000 1.182 28 G CA -0.304 44.760 45.100 -0.059 0.000 0.899 28 G HN 0.140 nan 8.290 nan 0.000 0.455 29 L N 5.350 126.446 121.223 -0.211 0.000 2.290 29 L HA 0.402 4.742 4.340 0.000 0.000 0.284 29 L C -1.647 174.995 176.870 -0.379 0.000 1.078 29 L CA -1.891 52.721 54.840 -0.379 0.000 0.815 29 L CB 1.281 43.150 42.059 -0.317 0.000 1.162 29 L HN 0.334 nan 8.230 nan 0.000 0.435 30 P HA 0.223 nan 4.420 nan 0.000 0.271 30 P C -2.686 174.593 177.300 -0.035 0.000 1.220 30 P CA -1.333 61.575 63.100 -0.320 0.000 0.768 30 P CB 0.121 31.575 31.700 -0.410 0.000 0.848 31 P HA 0.132 nan 4.420 nan 0.000 0.269 31 P C 0.467 177.775 177.300 0.014 0.000 1.215 31 P CA -0.086 63.041 63.100 0.046 0.000 0.780 31 P CB 0.329 32.012 31.700 -0.028 0.000 0.898 32 I N 2.879 123.398 120.570 -0.086 0.000 2.919 32 I HA -0.191 3.979 4.170 0.000 0.000 0.303 32 I C 1.441 177.485 176.117 -0.121 0.000 1.221 32 I CA 0.878 62.112 61.300 -0.111 0.000 1.444 32 I CB -0.382 37.503 38.000 -0.192 0.000 1.331 32 I HN 0.476 nan 8.210 nan 0.000 0.572 33 L N 1.682 122.825 121.223 -0.134 0.000 4.110 33 L HA -0.248 4.092 4.340 0.000 0.000 0.404 33 L C 0.285 177.092 176.870 -0.105 0.000 0.763 33 L CA 0.157 54.863 54.840 -0.224 0.000 2.413 33 L CB -1.452 40.370 42.059 -0.395 0.000 1.244 33 L HN 0.692 nan 8.230 nan 0.000 0.614 34 N N 1.424 120.092 118.700 -0.052 0.000 2.458 34 N HA 0.426 5.166 4.740 0.000 0.000 0.258 34 N C 0.297 175.813 175.510 0.011 0.000 1.219 34 N CA 1.003 54.042 53.050 -0.019 0.000 0.902 34 N CB 0.855 39.322 38.487 -0.034 0.000 1.076 34 N HN 0.320 nan 8.380 nan 0.000 0.455 35 A N 2.312 125.148 122.820 0.027 0.000 2.328 35 A HA 0.492 4.813 4.320 0.000 0.000 0.284 35 A C -0.730 176.879 177.584 0.041 0.000 1.160 35 A CA -0.308 51.753 52.037 0.041 0.000 0.818 35 A CB 0.057 19.082 19.000 0.041 0.000 1.087 35 A HN 0.479 nan 8.150 nan 0.000 0.504 36 L N 2.130 123.388 121.223 0.059 0.000 2.346 36 L HA 0.460 4.800 4.340 0.000 0.000 0.274 36 L C -0.076 176.830 176.870 0.061 0.000 1.007 36 L CA -0.237 54.652 54.840 0.083 0.000 0.818 36 L CB 1.776 43.916 42.059 0.135 0.000 1.284 36 L HN 0.661 nan 8.230 nan 0.000 0.424 37 E N 2.489 122.721 120.200 0.053 0.000 2.113 37 E HA 0.329 4.679 4.350 0.000 0.000 0.273 37 E C -0.870 175.745 176.600 0.025 0.000 0.924 37 E CA -0.665 55.754 56.400 0.031 0.000 0.764 37 E CB 2.208 31.919 29.700 0.019 0.000 1.104 37 E HN 0.202 nan 8.360 nan 0.000 0.406 38 V N 4.358 124.281 119.914 0.017 0.000 2.479 38 V HA -0.047 4.073 4.120 0.000 0.000 0.281 38 V C 0.736 176.829 176.094 -0.001 0.000 1.031 38 V CA -0.242 62.060 62.300 0.004 0.000 1.038 38 V CB 0.526 32.350 31.823 0.001 0.000 0.981 38 V HN 0.490 nan 8.190 nan 0.000 0.478 39 Q N 2.629 122.424 119.800 -0.008 0.000 2.443 39 Q HA 0.351 4.691 4.340 0.000 0.000 0.232 39 Q C 1.283 177.277 176.000 -0.011 0.000 1.026 39 Q CA 0.606 56.403 55.803 -0.009 0.000 0.924 39 Q CB 0.587 29.316 28.738 -0.014 0.000 1.256 39 Q HN 1.165 nan 8.270 nan 0.000 0.519 40 G N 1.390 110.185 108.800 -0.009 0.000 2.246 40 G HA2 -0.236 3.724 3.960 0.000 0.000 0.273 40 G HA3 -0.236 3.724 3.960 0.000 0.000 0.273 40 G C -0.221 174.675 174.900 -0.006 0.000 1.055 40 G CA 0.078 45.173 45.100 -0.009 0.000 0.851 40 G HN 0.272 nan 8.290 nan 0.000 0.500 41 R N -0.416 120.082 120.500 -0.004 0.000 2.664 41 R HA 0.437 4.778 4.340 0.000 0.000 0.286 41 R C 0.959 177.258 176.300 -0.001 0.000 0.967 41 R CA -0.958 55.140 56.100 -0.002 0.000 0.933 41 R CB 1.169 31.469 30.300 -0.000 0.000 1.146 41 R HN 0.161 nan 8.270 nan 0.000 0.468 42 E N 0.921 121.121 120.200 -0.001 0.000 2.072 42 E HA -0.068 4.283 4.350 0.000 0.000 0.191 42 E C 0.463 177.063 176.600 0.001 0.000 0.985 42 E CA 1.489 57.889 56.400 0.000 0.000 0.801 42 E CB 0.226 29.926 29.700 0.000 0.000 0.750 42 E HN 0.697 nan 8.360 nan 0.000 0.452 43 T N -1.791 112.765 114.554 0.002 0.000 2.932 43 T HA 0.464 4.814 4.350 0.000 0.000 0.289 43 T C 0.074 174.777 174.700 0.005 0.000 1.039 43 T CA -0.949 61.154 62.100 0.004 0.000 1.024 43 T CB 2.453 71.324 68.868 0.005 0.000 1.090 43 T HN -0.097 nan 8.240 nan 0.000 0.496 44 R N 0.913 121.417 120.500 0.007 0.000 2.484 44 R HA 0.340 4.680 4.340 0.000 0.000 0.293 44 R C -1.090 175.217 176.300 0.011 0.000 1.023 44 R CA -0.454 55.651 56.100 0.008 0.000 1.037 44 R CB -0.123 30.182 30.300 0.008 0.000 0.951 44 R HN 0.582 nan 8.270 nan 0.000 0.418 45 L N 5.960 127.189 121.223 0.011 0.000 2.343 45 L HA 0.361 4.702 4.340 0.000 0.000 0.278 45 L C -1.348 175.533 176.870 0.019 0.000 0.996 45 L CA -0.542 54.307 54.840 0.014 0.000 0.831 45 L CB 1.949 44.014 42.059 0.011 0.000 1.232 45 L HN 0.364 nan 8.230 nan 0.000 0.413 46 V N 6.176 126.104 119.914 0.025 0.000 2.472 46 V HA 0.480 4.600 4.120 0.000 0.000 0.290 46 V C -0.028 176.088 176.094 0.037 0.000 1.037 46 V CA -0.554 61.765 62.300 0.032 0.000 0.908 46 V CB 1.648 33.492 31.823 0.034 0.000 0.985 46 V HN 0.583 nan 8.190 nan 0.000 0.454 47 L N 4.142 125.392 121.223 0.045 0.000 2.313 47 L HA 0.597 4.937 4.340 0.000 0.000 0.283 47 L C 0.024 176.928 176.870 0.057 0.000 1.013 47 L CA -0.379 54.491 54.840 0.050 0.000 0.816 47 L CB 1.762 43.854 42.059 0.055 0.000 1.236 47 L HN 0.655 nan 8.230 nan 0.000 0.419 48 E N 2.688 122.921 120.200 0.054 0.000 2.146 48 E HA 0.300 4.650 4.350 0.000 0.000 0.282 48 E C -0.898 175.726 176.600 0.040 0.000 0.989 48 E CA -0.786 55.646 56.400 0.052 0.000 0.799 48 E CB 1.684 31.426 29.700 0.071 0.000 1.088 48 E HN 0.357 nan 8.360 nan 0.000 0.397 49 V N 4.441 124.376 119.914 0.034 0.000 2.509 49 V HA 0.006 4.126 4.120 0.000 0.000 0.297 49 V C 0.962 177.064 176.094 0.013 0.000 1.014 49 V CA 1.122 63.448 62.300 0.043 0.000 1.127 49 V CB 0.646 32.501 31.823 0.054 0.000 0.925 49 V HN 0.885 nan 8.190 nan 0.000 0.480 50 A N 4.401 127.238 122.820 0.029 0.000 2.127 50 A HA 0.342 4.662 4.320 0.000 0.000 0.204 50 A C 0.683 178.271 177.584 0.006 0.000 1.243 50 A CA 0.202 52.241 52.037 0.004 0.000 0.887 50 A CB 0.397 19.403 19.000 0.010 0.000 0.933 50 A HN 0.765 nan 8.150 nan 0.000 0.479 51 Q N -0.907 118.927 119.800 0.056 0.000 2.391 51 Q HA 0.323 4.663 4.340 0.000 0.000 0.279 51 Q C -1.740 174.389 176.000 0.215 0.000 1.028 51 Q CA -0.525 55.320 55.803 0.071 0.000 0.836 51 Q CB 1.769 30.538 28.738 0.052 0.000 1.414 51 Q HN 0.631 nan 8.270 nan 0.000 0.397 52 H N 2.380 121.447 119.070 -0.006 0.000 2.597 52 H HA 0.248 4.804 4.556 0.000 0.000 0.303 52 H C 0.628 175.960 175.328 0.006 0.000 1.057 52 H CA -0.287 55.761 56.048 0.000 0.000 1.261 52 H CB 1.080 30.836 29.762 -0.010 0.000 1.397 52 H HN 0.443 nan 8.280 nan 0.000 0.461 53 L N 2.781 124.067 121.223 0.106 0.000 2.313 53 L HA 0.129 4.469 4.340 0.000 0.000 0.214 53 L C 1.187 178.086 176.870 0.047 0.000 1.119 53 L CA 0.637 55.514 54.840 0.062 0.000 0.809 53 L CB -0.001 42.083 42.059 0.042 0.000 0.933 53 L HN 0.891 nan 8.230 nan 0.000 0.449 54 G N -0.102 108.723 108.800 0.042 0.000 2.555 54 G HA2 -0.149 3.812 3.960 0.000 0.000 0.686 54 G HA3 -0.149 3.812 3.960 0.000 0.000 0.686 54 G C -0.101 174.805 174.900 0.010 0.000 1.275 54 G CA -0.484 44.632 45.100 0.026 0.000 0.871 54 G HN 0.278 nan 8.290 nan 0.000 0.603 55 E N -0.844 119.360 120.200 0.007 0.000 2.328 55 E HA -0.225 4.125 4.350 0.000 0.000 0.233 55 E C 0.988 177.589 176.600 0.002 0.000 1.219 55 E CA 1.021 57.423 56.400 0.004 0.000 0.717 55 E CB -1.609 28.095 29.700 0.005 0.000 1.210 55 E HN 2.002 nan 8.360 nan 0.000 0.381 56 S N -2.156 113.539 115.700 -0.007 0.000 3.561 56 S HA -0.195 4.275 4.470 0.000 0.000 0.318 56 S C 0.090 174.703 174.600 0.023 0.000 1.181 56 S CA 1.492 59.690 58.200 -0.003 0.000 0.916 56 S CB -0.980 62.233 63.200 0.021 0.000 0.966 56 S HN 0.461 nan 8.310 nan 0.000 0.550 57 T N 1.496 116.052 114.554 0.002 0.000 2.824 57 T HA 0.631 4.981 4.350 0.000 0.000 0.282 57 T C 0.191 174.900 174.700 0.014 0.000 0.993 57 T CA -0.311 61.806 62.100 0.028 0.000 0.967 57 T CB 1.878 70.757 68.868 0.018 0.000 0.960 57 T HN 0.558 nan 8.240 nan 0.000 0.441 58 V N 1.497 121.447 119.914 0.060 0.000 2.667 58 V HA 0.784 4.905 4.120 0.000 0.000 0.308 58 V C -0.225 175.920 176.094 0.085 0.000 1.048 58 V CA -1.354 60.989 62.300 0.072 0.000 0.928 58 V CB 1.668 33.540 31.823 0.081 0.000 1.004 58 V HN 0.865 nan 8.190 nan 0.000 0.444 59 R N 2.274 122.824 120.500 0.082 0.000 2.407 59 R HA 0.756 5.096 4.340 0.000 0.000 0.303 59 R C -0.158 176.180 176.300 0.063 0.000 0.981 59 R CA 0.338 56.474 56.100 0.060 0.000 0.905 59 R CB 1.590 31.918 30.300 0.047 0.000 1.099 59 R HN 1.175 nan 8.270 nan 0.000 0.459 60 T N 1.744 116.330 114.554 0.052 0.000 2.901 60 T HA 0.564 4.914 4.350 0.000 0.000 0.293 60 T C 0.019 174.739 174.700 0.034 0.000 1.084 60 T CA -1.031 61.099 62.100 0.049 0.000 1.008 60 T CB 1.105 70.010 68.868 0.062 0.000 1.170 60 T HN 0.578 nan 8.240 nan 0.000 0.509 61 I N -0.162 120.427 120.570 0.032 0.000 2.404 61 I HA 0.822 4.992 4.170 0.000 0.000 0.293 61 I C 0.185 176.319 176.117 0.029 0.000 0.992 61 I CA -1.498 59.816 61.300 0.024 0.000 1.149 61 I CB 1.379 39.390 38.000 0.018 0.000 1.315 61 I HN 0.883 nan 8.210 nan 0.000 0.446 62 A N 6.677 129.511 122.820 0.023 0.000 2.371 62 A HA 0.521 4.841 4.320 0.000 0.000 0.257 62 A C 0.738 178.337 177.584 0.025 0.000 1.089 62 A CA -0.534 51.517 52.037 0.024 0.000 0.794 62 A CB 0.669 19.680 19.000 0.018 0.000 1.029 62 A HN 0.877 nan 8.150 nan 0.000 0.488 63 M N 0.667 120.284 119.600 0.028 0.000 2.428 63 M HA 0.185 4.665 4.480 0.000 0.000 0.239 63 M C -0.135 176.180 176.300 0.025 0.000 1.121 63 M CA 0.632 55.950 55.300 0.030 0.000 1.019 63 M CB -0.898 31.723 32.600 0.035 0.000 1.485 63 M HN 0.803 nan 8.290 nan 0.000 0.484 64 D N -1.224 119.188 120.400 0.020 0.000 2.759 64 D HA 0.461 5.101 4.640 0.000 0.000 0.321 64 D C -0.506 175.802 176.300 0.014 0.000 1.267 64 D CA -0.192 53.819 54.000 0.017 0.000 0.933 64 D CB 1.175 41.985 40.800 0.016 0.000 1.431 64 D HN 0.110 nan 8.370 nan 0.000 0.504 65 G N -1.045 107.762 108.800 0.011 0.000 2.554 65 G HA2 0.347 4.307 3.960 0.000 0.000 0.238 65 G HA3 0.347 4.307 3.960 0.000 0.000 0.238 65 G C 0.782 175.687 174.900 0.007 0.000 1.259 65 G CA 0.598 45.703 45.100 0.009 0.000 0.843 65 G HN 0.408 nan 8.290 nan 0.000 0.582 66 T N -1.761 112.796 114.554 0.006 0.000 3.092 66 T HA 0.162 4.512 4.350 0.000 0.000 0.258 66 T C 0.740 175.441 174.700 0.001 0.000 1.031 66 T CA 0.015 62.117 62.100 0.004 0.000 0.925 66 T CB 0.041 68.911 68.868 0.004 0.000 1.036 66 T HN 0.665 nan 8.240 nan 0.000 0.544 67 E N 1.983 122.184 120.200 0.002 0.000 2.442 67 E HA 0.253 4.603 4.350 0.000 0.000 0.262 67 E C 1.183 177.782 176.600 -0.001 0.000 1.004 67 E CA 0.793 57.194 56.400 0.000 0.000 0.928 67 E CB 0.043 29.744 29.700 0.001 0.000 0.937 67 E HN 0.484 nan 8.360 nan 0.000 0.446 68 G N 2.700 111.499 108.800 -0.003 0.000 2.199 68 G HA2 -0.277 3.684 3.960 0.000 0.000 0.254 68 G HA3 -0.277 3.684 3.960 0.000 0.000 0.254 68 G C 0.335 175.231 174.900 -0.006 0.000 0.982 68 G CA 0.253 45.351 45.100 -0.004 0.000 0.632 68 G HN 0.488 nan 8.290 nan 0.000 0.529 69 L N 0.848 122.068 121.223 -0.006 0.000 2.426 69 L HA 0.508 4.848 4.340 0.000 0.000 0.271 69 L C 0.560 177.422 176.870 -0.012 0.000 1.169 69 L CA -0.403 54.431 54.840 -0.009 0.000 0.836 69 L CB 1.265 43.319 42.059 -0.008 0.000 1.112 69 L HN -0.008 nan 8.230 nan 0.000 0.465 70 V N 3.265 123.169 119.914 -0.016 0.000 2.680 70 V HA 0.378 4.498 4.120 0.000 0.000 0.309 70 V C 0.078 176.157 176.094 -0.025 0.000 1.052 70 V CA -0.948 61.341 62.300 -0.018 0.000 0.908 70 V CB 1.945 33.758 31.823 -0.018 0.000 1.001 70 V HN 0.684 nan 8.190 nan 0.000 0.431 71 R N 2.322 122.808 120.500 -0.024 0.000 2.522 71 R HA 0.411 4.751 4.340 0.000 0.000 0.284 71 R C 1.312 177.591 176.300 -0.036 0.000 1.032 71 R CA 0.978 57.059 56.100 -0.030 0.000 1.049 71 R CB 0.088 30.373 30.300 -0.026 0.000 0.956 71 R HN 1.205 nan 8.270 nan 0.000 0.422 72 G N 1.551 110.322 108.800 -0.048 0.000 2.213 72 G HA2 -0.334 3.626 3.960 0.000 0.000 0.236 72 G HA3 -0.334 3.626 3.960 0.000 0.000 0.236 72 G C 0.204 175.070 174.900 -0.057 0.000 0.991 72 G CA 0.061 45.130 45.100 -0.053 0.000 0.629 72 G HN 0.604 nan 8.290 nan 0.000 0.517 73 Q N 1.244 121.013 119.800 -0.052 0.000 2.330 73 Q HA 0.438 4.778 4.340 0.000 0.000 0.279 73 Q C 0.358 176.317 176.000 -0.068 0.000 1.024 73 Q CA 0.174 55.948 55.803 -0.049 0.000 0.900 73 Q CB 0.313 29.029 28.738 -0.037 0.000 1.221 73 Q HN 0.462 nan 8.270 nan 0.000 0.396 74 K N 1.803 122.165 120.400 -0.062 0.000 2.185 74 K HA 0.386 4.706 4.320 0.000 0.000 0.271 74 K C -1.151 175.409 176.600 -0.068 0.000 1.013 74 K CA -0.507 55.733 56.287 -0.078 0.000 0.943 74 K CB 1.348 33.814 32.500 -0.057 0.000 0.998 74 K HN 0.320 nan 8.250 nan 0.000 0.468 75 V N 4.304 124.161 119.914 -0.095 0.000 2.525 75 V HA 0.271 4.391 4.120 0.000 0.000 0.299 75 V C -0.630 175.474 176.094 0.017 0.000 1.034 75 V CA -0.845 61.428 62.300 -0.045 0.000 0.863 75 V CB 1.465 33.247 31.823 -0.068 0.000 0.999 75 V HN 0.601 nan 8.190 nan 0.000 0.423 76 L N 3.444 124.705 121.223 0.064 0.000 2.289 76 L HA 0.477 4.817 4.340 0.000 0.000 0.285 76 L C 0.040 176.999 176.870 0.149 0.000 1.049 76 L CA -0.462 54.441 54.840 0.106 0.000 0.804 76 L CB 1.329 43.420 42.059 0.053 0.000 1.195 76 L HN 0.598 nan 8.230 nan 0.000 0.428 77 D N 1.295 121.813 120.400 0.195 0.000 2.358 77 D HA -0.003 4.637 4.640 0.000 0.000 0.258 77 D C 1.200 177.519 176.300 0.033 0.000 1.223 77 D CA 0.021 54.075 54.000 0.090 0.000 0.886 77 D CB 1.269 42.055 40.800 -0.024 0.000 1.120 77 D HN 0.537 nan 8.370 nan 0.000 0.482 78 S N 2.900 118.611 115.700 0.018 0.000 2.447 78 S HA 0.039 4.509 4.470 0.000 0.000 0.233 78 S C 1.755 176.345 174.600 -0.017 0.000 1.006 78 S CA 0.676 58.875 58.200 -0.003 0.000 0.957 78 S CB -0.266 62.930 63.200 -0.006 0.000 0.773 78 S HN 0.939 nan 8.310 nan 0.000 0.507 79 G N 0.126 108.913 108.800 -0.022 0.000 2.175 79 G HA2 0.143 4.103 3.960 0.000 0.000 0.244 79 G HA3 0.143 4.103 3.960 0.000 0.000 0.244 79 G C 0.119 175.005 174.900 -0.024 0.000 0.982 79 G CA -0.164 44.918 45.100 -0.029 0.000 0.641 79 G HN 1.630 nan 8.290 nan 0.000 0.527 80 A N -0.921 121.889 122.820 -0.017 0.000 2.601 80 A HA 0.889 5.209 4.320 0.000 0.000 0.291 80 A C -3.057 174.535 177.584 0.013 0.000 1.075 80 A CA -0.702 51.332 52.037 -0.004 0.000 0.671 80 A CB 1.161 20.158 19.000 -0.005 0.000 1.277 80 A HN 0.117 nan 8.150 nan 0.000 0.417 81 P HA 0.354 nan 4.420 nan 0.000 0.273 81 P C -0.187 177.165 177.300 0.088 0.000 1.250 81 P CA -0.275 62.877 63.100 0.088 0.000 0.793 81 P CB 0.214 32.017 31.700 0.172 0.000 1.011 82 I N 0.937 121.575 120.570 0.114 0.000 2.996 82 I HA -0.159 4.011 4.170 0.000 0.000 0.310 82 I C 1.147 177.297 176.117 0.054 0.000 1.225 82 I CA 1.229 62.572 61.300 0.071 0.000 1.442 82 I CB -0.185 37.856 38.000 0.068 0.000 1.334 82 I HN 0.167 nan 8.210 nan 0.000 0.550 83 R N 7.171 127.695 120.500 0.040 0.000 2.534 83 R HA 0.703 5.043 4.340 0.000 0.000 0.301 83 R C -0.826 175.545 176.300 0.118 0.000 0.961 83 R CA -0.783 55.355 56.100 0.063 0.000 0.871 83 R CB 2.077 32.392 30.300 0.024 0.000 1.170 83 R HN 0.583 nan 8.270 nan 0.000 0.446 84 I N -1.100 119.564 120.570 0.156 0.000 2.892 84 I HA 0.645 4.815 4.170 0.000 0.000 0.306 84 I C -2.648 173.538 176.117 0.116 0.000 1.078 84 I CA -3.350 58.041 61.300 0.152 0.000 1.032 84 I CB 2.315 40.332 38.000 0.029 0.000 1.229 84 I HN 0.294 nan 8.210 nan 0.000 0.435 85 P HA 0.129 nan 4.420 nan 0.000 0.264 85 P C -0.629 176.440 177.300 -0.385 0.000 1.193 85 P CA -0.041 62.809 63.100 -0.417 0.000 0.763 85 P CB 0.687 32.206 31.700 -0.302 0.000 0.810 86 V N 0.548 120.131 119.914 -0.552 0.000 3.001 86 V HA 1.017 5.137 4.120 0.000 0.000 0.314 86 V C 0.193 175.722 176.094 -0.942 0.000 1.099 86 V CA -0.193 61.693 62.300 -0.691 0.000 0.989 86 V CB 1.362 32.769 31.823 -0.693 0.000 1.040 86 V HN 0.933 nan 8.190 nan 0.000 0.434 87 G N 2.228 110.350 108.800 -1.132 0.000 2.434 87 G HA2 0.023 3.983 3.960 0.000 0.000 0.671 87 G HA3 0.023 3.983 3.960 0.000 0.000 0.671 87 G C -2.115 172.605 174.900 -0.301 0.000 1.280 87 G CA -0.094 44.484 45.100 -0.870 0.000 0.975 87 G HN 0.747 nan 8.290 nan 0.000 0.510 88 P HA -0.098 nan 4.420 nan 0.000 0.217 88 P C 1.256 178.532 177.300 -0.039 0.000 1.148 88 P CA 1.744 64.855 63.100 0.019 0.000 0.834 88 P CB 0.011 31.737 31.700 0.042 0.000 0.783 89 E N -0.537 119.606 120.200 -0.096 0.000 2.409 89 E HA -0.088 4.262 4.350 0.000 0.000 0.198 89 E C 1.835 178.387 176.600 -0.080 0.000 1.024 89 E CA 1.498 57.843 56.400 -0.091 0.000 0.861 89 E CB -1.004 28.619 29.700 -0.127 0.000 0.788 89 E HN 0.473 nan 8.360 nan 0.000 0.521 90 T N -1.548 112.952 114.554 -0.090 0.000 3.067 90 T HA 0.052 4.402 4.350 0.000 0.000 0.261 90 T C 1.213 175.928 174.700 0.023 0.000 1.110 90 T CA -0.079 61.992 62.100 -0.049 0.000 1.113 90 T CB -0.164 68.655 68.868 -0.081 0.000 0.917 90 T HN -0.029 nan 8.240 nan 0.000 0.499 91 L N 2.038 123.280 121.223 0.031 0.000 2.462 91 L HA 0.428 4.768 4.340 0.000 0.000 0.272 91 L C 1.677 178.571 176.870 0.042 0.000 1.166 91 L CA 0.842 55.701 54.840 0.031 0.000 0.880 91 L CB 0.099 42.134 42.059 -0.041 0.000 1.142 91 L HN 0.578 nan 8.230 nan 0.000 0.473 92 G N 2.093 110.936 108.800 0.071 0.000 2.176 92 G HA2 -0.207 3.753 3.960 0.000 0.000 0.253 92 G HA3 -0.207 3.753 3.960 0.000 0.000 0.253 92 G C 0.333 175.307 174.900 0.123 0.000 0.979 92 G CA -0.388 44.765 45.100 0.088 0.000 0.641 92 G HN 0.466 nan 8.290 nan 0.000 0.530 93 R N -0.137 120.419 120.500 0.093 0.000 2.720 93 R HA 0.778 5.118 4.340 0.000 0.000 0.272 93 R C 0.244 176.581 176.300 0.062 0.000 0.991 93 R CA -0.985 55.156 56.100 0.068 0.000 1.010 93 R CB 0.850 31.166 30.300 0.027 0.000 1.141 93 R HN 0.324 nan 8.270 nan 0.000 0.494 94 I N 2.721 123.290 120.570 -0.001 0.000 2.389 94 I HA 0.431 4.601 4.170 0.000 0.000 0.288 94 I C 0.428 176.550 176.117 0.010 0.000 0.999 94 I CA -0.668 60.633 61.300 0.002 0.000 1.129 94 I CB 1.529 39.446 38.000 -0.139 0.000 1.288 94 I HN 0.383 nan 8.210 nan 0.000 0.444 95 M N 4.198 123.828 119.600 0.050 0.000 2.662 95 M HA 0.596 5.076 4.480 0.000 0.000 0.310 95 M C -1.016 175.319 176.300 0.057 0.000 1.204 95 M CA -0.599 54.722 55.300 0.035 0.000 0.891 95 M CB 1.995 34.605 32.600 0.016 0.000 1.732 95 M HN 0.323 nan 8.290 nan 0.000 0.467 96 N N 0.778 119.503 118.700 0.042 0.000 2.288 96 N HA 0.158 4.898 4.740 0.000 0.000 0.237 96 N C 1.271 176.802 175.510 0.034 0.000 1.311 96 N CA -0.220 52.856 53.050 0.044 0.000 0.909 96 N CB 0.930 39.436 38.487 0.032 0.000 1.167 96 N HN 0.655 nan 8.380 nan 0.000 0.476 97 V N 0.389 120.323 119.914 0.033 0.000 2.317 97 V HA -0.241 3.880 4.120 0.000 0.000 0.251 97 V C 1.636 177.740 176.094 0.016 0.000 1.065 97 V CA 1.942 64.255 62.300 0.021 0.000 1.049 97 V CB -1.008 30.832 31.823 0.027 0.000 0.651 97 V HN 0.761 nan 8.190 nan 0.000 0.450 98 I N -1.590 118.995 120.570 0.025 0.000 3.855 98 I HA 0.674 4.844 4.170 0.000 0.000 0.327 98 I C 1.338 177.476 176.117 0.036 0.000 1.359 98 I CA 0.533 61.850 61.300 0.028 0.000 1.142 98 I CB -0.140 37.877 38.000 0.029 0.000 1.041 98 I HN 0.341 nan 8.210 nan 0.000 0.403 99 G N 1.042 109.861 108.800 0.031 0.000 2.143 99 G HA2 -0.257 3.703 3.960 0.000 0.000 0.249 99 G HA3 -0.257 3.703 3.960 0.000 0.000 0.249 99 G C -0.092 174.832 174.900 0.041 0.000 0.981 99 G CA 0.011 45.133 45.100 0.037 0.000 0.665 99 G HN 0.643 nan 8.290 nan 0.000 0.528 100 E N 1.786 122.007 120.200 0.034 0.000 2.354 100 E HA 0.354 4.704 4.350 0.000 0.000 0.269 100 E C -2.099 174.511 176.600 0.017 0.000 1.036 100 E CA -1.646 54.771 56.400 0.028 0.000 0.876 100 E CB 1.181 30.895 29.700 0.023 0.000 1.009 100 E HN 0.223 nan 8.360 nan 0.000 0.416 101 P HA 0.026 nan 4.420 nan 0.000 0.271 101 P C 0.044 177.336 177.300 -0.013 0.000 1.216 101 P CA 0.372 63.471 63.100 -0.003 0.000 0.771 101 P CB 0.386 32.084 31.700 -0.002 0.000 0.864 102 I N -0.823 119.727 120.570 -0.034 0.000 3.817 102 I HA 0.262 4.432 4.170 0.000 0.000 0.325 102 I C 0.005 176.056 176.117 -0.110 0.000 1.550 102 I CA -0.351 60.917 61.300 -0.054 0.000 1.100 102 I CB 0.110 38.086 38.000 -0.040 0.000 1.216 102 I HN 0.015 nan 8.210 nan 0.000 0.481 103 D N 0.354 120.687 120.400 -0.112 0.000 2.363 103 D HA 0.031 4.671 4.640 0.000 0.000 0.214 103 D C 0.471 176.740 176.300 -0.051 0.000 1.093 103 D CA -0.099 53.810 54.000 -0.152 0.000 0.837 103 D CB -0.102 40.593 40.800 -0.174 0.000 0.948 103 D HN 0.489 nan 8.370 nan 0.000 0.507 104 E N -0.401 119.781 120.200 -0.030 0.000 2.791 104 E HA -0.273 4.077 4.350 0.000 0.000 0.271 104 E C 0.576 177.182 176.600 0.009 0.000 1.044 104 E CA 0.353 56.749 56.400 -0.005 0.000 0.814 104 E CB -1.248 28.453 29.700 0.001 0.000 1.400 104 E HN 0.426 nan 8.360 nan 0.000 0.423 105 R N 0.052 120.559 120.500 0.011 0.000 2.362 105 R HA 0.266 4.606 4.340 0.000 0.000 0.227 105 R C 0.939 177.247 176.300 0.014 0.000 0.905 105 R CA 0.480 56.592 56.100 0.020 0.000 1.067 105 R CB 1.152 31.472 30.300 0.033 0.000 1.078 105 R HN 0.288 nan 8.270 nan 0.000 0.516 106 G N 1.634 110.440 108.800 0.010 0.000 2.498 106 G HA2 -0.165 3.795 3.960 0.000 0.000 0.651 106 G HA3 -0.165 3.795 3.960 0.000 0.000 0.651 106 G C -2.732 172.174 174.900 0.009 0.000 1.284 106 G CA -1.356 43.750 45.100 0.009 0.000 0.950 106 G HN -0.070 nan 8.290 nan 0.000 0.511 107 P HA 0.374 nan 4.420 nan 0.000 0.267 107 P C 0.137 177.442 177.300 0.007 0.000 1.200 107 P CA -0.091 63.019 63.100 0.016 0.000 0.772 107 P CB 0.359 32.072 31.700 0.022 0.000 0.855 108 I N 3.118 123.691 120.570 0.005 0.000 2.281 108 I HA 0.094 4.264 4.170 0.000 0.000 0.293 108 I C 0.702 176.799 176.117 -0.032 0.000 1.085 108 I CA -0.173 61.112 61.300 -0.024 0.000 1.257 108 I CB 0.117 38.093 38.000 -0.041 0.000 1.430 108 I HN 0.111 nan 8.210 nan 0.000 0.489 109 K N 5.756 126.134 120.400 -0.037 0.000 2.187 109 K HA 0.185 4.505 4.320 0.000 0.000 0.242 109 K C 0.165 176.709 176.600 -0.093 0.000 1.179 109 K CA -0.316 55.951 56.287 -0.033 0.000 1.097 109 K CB -0.227 32.265 32.500 -0.012 0.000 1.634 109 K HN 0.567 nan 8.250 nan 0.000 0.335 110 T N -1.595 112.844 114.554 -0.192 0.000 2.918 110 T HA 0.226 4.576 4.350 0.000 0.000 0.283 110 T C 0.942 175.486 174.700 -0.261 0.000 1.001 110 T CA -0.908 61.001 62.100 -0.318 0.000 1.041 110 T CB 1.768 70.279 68.868 -0.594 0.000 1.028 110 T HN 0.256 nan 8.240 nan 0.000 0.511 111 K N 0.425 120.699 120.400 -0.211 0.000 2.137 111 K HA 0.055 4.375 4.320 0.000 0.000 0.202 111 K C 0.355 176.881 176.600 -0.123 0.000 1.052 111 K CA 0.701 56.931 56.287 -0.095 0.000 0.961 111 K CB 0.054 32.524 32.500 -0.050 0.000 0.741 111 K HN 0.573 nan 8.250 nan 0.000 0.452 112 Q N -0.001 119.606 119.800 -0.321 0.000 2.312 112 Q HA 0.474 4.814 4.340 0.000 0.000 0.263 112 Q C -1.025 174.656 176.000 -0.532 0.000 0.995 112 Q CA -0.389 55.254 55.803 -0.266 0.000 0.853 112 Q CB 1.334 29.932 28.738 -0.233 0.000 1.300 112 Q HN -0.068 nan 8.270 nan 0.000 0.448 113 F N 0.273 120.163 119.950 -0.101 0.000 2.593 113 F HA 0.888 5.415 4.527 0.000 0.000 0.320 113 F C -0.333 175.425 175.800 -0.071 0.000 1.060 113 F CA -1.055 56.888 58.000 -0.095 0.000 0.940 113 F CB 2.063 41.026 39.000 -0.061 0.000 1.268 113 F HN 0.595 nan 8.300 nan 0.000 0.475 114 A N 0.966 123.854 122.820 0.114 0.000 2.455 114 A HA 0.809 5.129 4.320 0.000 0.000 0.300 114 A C -1.073 176.544 177.584 0.055 0.000 1.040 114 A CA -0.737 51.338 52.037 0.063 0.000 0.697 114 A CB 0.960 19.971 19.000 0.018 0.000 1.265 114 A HN 1.091 nan 8.150 nan 0.000 0.407 115 A N 1.398 124.249 122.820 0.052 0.000 2.511 115 A HA 0.417 4.737 4.320 0.000 0.000 0.242 115 A C 1.113 178.702 177.584 0.010 0.000 1.069 115 A CA 0.371 52.438 52.037 0.050 0.000 0.763 115 A CB -0.441 18.600 19.000 0.068 0.000 1.001 115 A HN 1.732 nan 8.150 nan 0.000 0.498 116 I N -0.536 120.012 120.570 -0.036 0.000 3.251 116 I HA 0.070 4.240 4.170 0.000 0.000 0.277 116 I C 0.208 176.155 176.117 -0.284 0.000 1.268 116 I CA 0.276 61.478 61.300 -0.162 0.000 1.449 116 I CB -0.314 37.559 38.000 -0.212 0.000 1.083 116 I HN 0.514 nan 8.210 nan 0.000 0.464 117 H N 2.423 121.495 119.070 0.005 0.000 2.473 117 H HA 0.818 5.374 4.556 0.000 0.000 0.327 117 H C -0.430 174.898 175.328 0.000 0.000 1.105 117 H CA -0.139 55.910 56.048 0.003 0.000 1.280 117 H CB 1.787 31.553 29.762 0.007 0.000 1.450 117 H HN 0.399 nan 8.280 nan 0.000 0.492 118 A N 2.575 125.455 122.820 0.101 0.000 2.601 118 A HA 0.315 4.635 4.320 0.000 0.000 0.291 118 A C -0.886 176.723 177.584 0.042 0.000 1.075 118 A CA -0.938 51.131 52.037 0.054 0.000 0.671 118 A CB 1.490 20.505 19.000 0.024 0.000 1.277 118 A HN 0.535 nan 8.150 nan 0.000 0.417 119 E N 0.787 121.005 120.200 0.030 0.000 2.354 119 E HA 0.499 4.849 4.350 0.000 0.000 0.269 119 E C 0.496 177.106 176.600 0.017 0.000 1.036 119 E CA 0.153 56.567 56.400 0.025 0.000 0.876 119 E CB 1.429 31.142 29.700 0.022 0.000 1.009 119 E HN 0.889 nan 8.360 nan 0.000 0.416 120 A N 4.340 127.171 122.820 0.018 0.000 2.462 120 A HA 0.328 4.648 4.320 0.000 0.000 0.243 120 A C -2.008 175.587 177.584 0.019 0.000 1.076 120 A CA -1.024 51.021 52.037 0.014 0.000 0.773 120 A CB -0.495 18.518 19.000 0.021 0.000 1.010 120 A HN 0.323 nan 8.150 nan 0.000 0.493 121 P HA 0.075 nan 4.420 nan 0.000 0.265 121 P C -0.066 177.253 177.300 0.032 0.000 1.187 121 P CA 0.154 63.261 63.100 0.012 0.000 0.766 121 P CB 0.434 32.133 31.700 -0.002 0.000 0.820 122 E N 1.465 121.687 120.200 0.037 0.000 2.392 122 E HA 0.004 4.354 4.350 0.000 0.000 0.256 122 E C 0.833 177.493 176.600 0.099 0.000 1.145 122 E CA -0.267 56.178 56.400 0.075 0.000 0.929 122 E CB 0.162 29.903 29.700 0.069 0.000 0.998 122 E HN 0.414 nan 8.360 nan 0.000 0.442 123 F N 2.046 121.997 119.950 0.001 0.000 2.154 123 F HA -0.246 4.281 4.527 0.000 0.000 0.301 123 F C 1.818 177.618 175.800 -0.001 0.000 1.087 123 F CA 1.838 59.839 58.000 0.001 0.000 1.274 123 F CB -0.189 38.812 39.000 0.001 0.000 1.009 123 F HN 0.261 nan 8.300 nan 0.000 0.485 124 V N -2.005 117.889 119.914 -0.033 0.000 2.913 124 V HA -0.152 3.968 4.120 0.000 0.000 0.260 124 V C 1.475 177.482 176.094 -0.145 0.000 1.098 124 V CA 1.853 64.077 62.300 -0.128 0.000 1.121 124 V CB -1.049 30.775 31.823 0.003 0.000 0.714 124 V HN 0.445 nan 8.190 nan 0.000 0.487 125 E N -0.060 120.076 120.200 -0.107 0.000 2.479 125 E HA 0.195 4.545 4.350 0.000 0.000 0.193 125 E C 0.506 177.042 176.600 -0.108 0.000 1.049 125 E CA -0.311 56.039 56.400 -0.083 0.000 0.870 125 E CB 0.036 29.711 29.700 -0.042 0.000 0.944 125 E HN 0.443 nan 8.360 nan 0.000 0.492 126 M N 1.090 120.585 119.600 -0.177 0.000 2.245 126 M HA 0.076 4.556 4.480 0.000 0.000 0.344 126 M C 0.388 176.602 176.300 -0.143 0.000 1.170 126 M CA 0.231 55.432 55.300 -0.166 0.000 1.135 126 M CB 0.963 33.420 32.600 -0.239 0.000 1.574 126 M HN -0.159 nan 8.290 nan 0.000 0.452 127 S N 1.494 117.138 115.700 -0.094 0.000 2.489 127 S HA 0.532 5.002 4.470 0.000 0.000 0.291 127 S C 0.618 175.180 174.600 -0.063 0.000 1.151 127 S CA -0.877 57.279 58.200 -0.072 0.000 1.082 127 S CB 0.769 63.939 63.200 -0.050 0.000 1.019 127 S HN 0.553 nan 8.310 nan 0.000 0.492 128 V N 1.313 121.193 119.914 -0.056 0.000 3.483 128 V HA 0.451 4.571 4.120 0.000 0.000 0.301 128 V C 0.152 176.231 176.094 -0.025 0.000 1.389 128 V CA -0.354 61.921 62.300 -0.041 0.000 1.101 128 V CB -0.435 31.362 31.823 -0.043 0.000 0.971 128 V HN 0.680 nan 8.190 nan 0.000 0.434 129 E N 2.034 122.220 120.200 -0.023 0.000 2.344 129 E HA 0.385 4.735 4.350 0.000 0.000 0.270 129 E C -0.561 176.036 176.600 -0.006 0.000 1.021 129 E CA 0.359 56.751 56.400 -0.014 0.000 0.887 129 E CB 1.021 30.713 29.700 -0.013 0.000 0.997 129 E HN 0.645 nan 8.360 nan 0.000 0.429 130 Q N 1.972 121.771 119.800 -0.000 0.000 2.337 130 Q HA 0.310 4.650 4.340 0.000 0.000 0.264 130 Q C -0.861 175.147 176.000 0.014 0.000 1.007 130 Q CA -0.228 55.580 55.803 0.008 0.000 0.727 130 Q CB 2.025 30.768 28.738 0.007 0.000 1.256 130 Q HN 0.439 nan 8.270 nan 0.000 0.467 131 E N 3.271 123.484 120.200 0.022 0.000 2.275 131 E HA 0.329 4.679 4.350 0.000 0.000 0.270 131 E C -0.990 175.637 176.600 0.044 0.000 0.882 131 E CA -0.776 55.642 56.400 0.029 0.000 0.758 131 E CB 1.931 31.646 29.700 0.025 0.000 1.195 131 E HN 0.626 nan 8.360 nan 0.000 0.419 132 I N 4.442 125.042 120.570 0.051 0.000 2.845 132 I HA -0.105 4.065 4.170 0.000 0.000 0.296 132 I C -0.730 175.433 176.117 0.076 0.000 1.216 132 I CA 0.200 61.542 61.300 0.070 0.000 1.438 132 I CB 0.310 38.358 38.000 0.079 0.000 1.342 132 I HN 0.426 nan 8.210 nan 0.000 0.577 133 L N 9.226 130.507 121.223 0.097 0.000 2.295 133 L HA 0.389 4.729 4.340 0.000 0.000 0.281 133 L C -0.724 176.197 176.870 0.086 0.000 1.018 133 L CA -0.340 54.560 54.840 0.099 0.000 0.841 133 L CB 1.206 43.341 42.059 0.127 0.000 1.218 133 L HN 0.307 nan 8.230 nan 0.000 0.424 134 V N 4.730 124.681 119.914 0.062 0.000 2.508 134 V HA 0.200 4.320 4.120 0.000 0.000 0.281 134 V C 1.447 177.556 176.094 0.024 0.000 1.041 134 V CA 0.584 62.906 62.300 0.035 0.000 1.016 134 V CB 0.842 32.688 31.823 0.039 0.000 0.984 134 V HN 0.940 nan 8.190 nan 0.000 0.478 135 T N 0.192 114.737 114.554 -0.016 0.000 3.037 135 T HA 0.248 4.599 4.350 0.000 0.000 0.252 135 T C 1.467 176.152 174.700 -0.024 0.000 1.073 135 T CA 0.736 62.825 62.100 -0.018 0.000 1.091 135 T CB 0.404 69.225 68.868 -0.078 0.000 0.935 135 T HN 1.458 nan 8.240 nan 0.000 0.488 136 G N 1.691 110.480 108.800 -0.018 0.000 2.159 136 G HA2 -0.167 3.793 3.960 0.000 0.000 0.256 136 G HA3 -0.167 3.793 3.960 0.000 0.000 0.256 136 G C -0.038 174.865 174.900 0.005 0.000 0.977 136 G CA 0.051 45.147 45.100 -0.006 0.000 0.652 136 G HN 0.569 nan 8.290 nan 0.000 0.531 137 I N 1.297 121.864 120.570 -0.005 0.000 2.307 137 I HA 0.257 4.427 4.170 0.000 0.000 0.289 137 I C 1.534 177.668 176.117 0.027 0.000 1.021 137 I CA -0.636 60.698 61.300 0.057 0.000 1.224 137 I CB 0.911 38.956 38.000 0.076 0.000 1.376 137 I HN 0.079 nan 8.210 nan 0.000 0.470 138 K N 3.822 124.244 120.400 0.037 0.000 2.034 138 K HA -0.164 4.156 4.320 0.000 0.000 0.214 138 K C 1.774 178.374 176.600 0.000 0.000 1.051 138 K CA 1.584 57.891 56.287 0.033 0.000 0.931 138 K CB -0.102 32.413 32.500 0.026 0.000 0.715 138 K HN 0.554 nan 8.250 nan 0.000 0.446 139 V N 0.620 120.538 119.914 0.006 0.000 2.295 139 V HA -0.221 3.899 4.120 0.000 0.000 0.246 139 V C 2.354 178.422 176.094 -0.044 0.000 1.049 139 V CA 1.588 63.870 62.300 -0.031 0.000 1.024 139 V CB -0.840 30.996 31.823 0.023 0.000 0.648 139 V HN 0.050 nan 8.190 nan 0.000 0.447 140 V N 0.844 120.730 119.914 -0.046 0.000 2.214 140 V HA -0.277 3.843 4.120 0.000 0.000 0.245 140 V C 2.475 178.493 176.094 -0.128 0.000 1.047 140 V CA 2.548 64.763 62.300 -0.142 0.000 0.998 140 V CB -0.864 30.760 31.823 -0.332 0.000 0.633 140 V HN 0.496 nan 8.190 nan 0.000 0.446 141 D N -0.321 120.015 120.400 -0.107 0.000 2.158 141 D HA -0.168 4.472 4.640 0.000 0.000 0.197 141 D C 1.863 178.210 176.300 0.078 0.000 0.995 141 D CA 1.333 55.318 54.000 -0.025 0.000 0.846 141 D CB -0.290 40.496 40.800 -0.022 0.000 0.941 141 D HN 0.351 nan 8.370 nan 0.000 0.456 142 L N -0.174 121.050 121.223 0.001 0.000 2.007 142 L HA -0.019 4.321 4.340 0.000 0.000 0.205 142 L C 2.036 178.966 176.870 0.099 0.000 1.073 142 L CA 1.474 56.313 54.840 -0.002 0.000 0.744 142 L CB -0.252 41.664 42.059 -0.238 0.000 0.898 142 L HN -0.012 nan 8.230 nan 0.000 0.435 143 L N -1.080 120.136 121.223 -0.012 0.000 2.357 143 L HA 0.309 4.649 4.340 0.000 0.000 0.211 143 L C 0.724 177.603 176.870 0.015 0.000 1.075 143 L CA 0.505 55.330 54.840 -0.024 0.000 0.830 143 L CB -0.152 41.868 42.059 -0.065 0.000 0.996 143 L HN 0.280 nan 8.230 nan 0.000 0.467 144 A N 0.502 123.343 122.820 0.035 0.000 3.266 144 A HA 0.515 4.835 4.320 0.000 0.000 0.310 144 A C -2.659 174.976 177.584 0.085 0.000 1.066 144 A CA -0.954 51.130 52.037 0.078 0.000 0.839 144 A CB -0.097 18.976 19.000 0.122 0.000 1.192 144 A HN -0.137 nan 8.150 nan 0.000 0.496 145 P HA 0.213 nan 4.420 nan 0.000 0.275 145 P C -0.523 176.889 177.300 0.187 0.000 1.228 145 P CA 0.239 63.362 63.100 0.037 0.000 0.786 145 P CB 0.267 32.010 31.700 0.071 0.000 0.927 146 Y N 0.134 120.470 120.300 0.059 0.000 2.301 146 Y HA 0.442 4.993 4.550 0.000 0.000 0.328 146 Y C 1.095 177.014 175.900 0.031 0.000 1.242 146 Y CA -1.328 56.797 58.100 0.042 0.000 1.323 146 Y CB 0.793 39.276 38.460 0.037 0.000 1.266 146 Y HN 0.341 nan 8.280 nan 0.000 0.527 147 A N 3.141 126.066 122.820 0.175 0.000 2.324 147 A HA 0.371 4.691 4.320 0.000 0.000 0.330 147 A C -0.655 176.964 177.584 0.057 0.000 1.165 147 A CA -1.004 51.088 52.037 0.092 0.000 0.813 147 A CB 0.859 19.893 19.000 0.057 0.000 1.197 147 A HN 0.798 nan 8.150 nan 0.000 0.484 148 K N 0.737 121.165 120.400 0.046 0.000 2.448 148 K HA 0.339 4.659 4.320 0.000 0.000 0.278 148 K C 1.220 177.819 176.600 -0.002 0.000 1.009 148 K CA 1.405 57.706 56.287 0.023 0.000 0.995 148 K CB 0.187 32.706 32.500 0.031 0.000 0.917 148 K HN 1.563 nan 8.250 nan 0.000 0.481 149 G N 2.298 111.081 108.800 -0.027 0.000 2.166 149 G HA2 -0.250 3.710 3.960 0.000 0.000 0.260 149 G HA3 -0.250 3.710 3.960 0.000 0.000 0.260 149 G C 0.357 175.227 174.900 -0.049 0.000 0.986 149 G CA 0.173 45.249 45.100 -0.040 0.000 0.683 149 G HN 0.870 nan 8.290 nan 0.000 0.527 150 G N -0.779 107.990 108.800 -0.053 0.000 2.502 150 G HA2 0.588 4.549 3.960 0.000 0.000 0.305 150 G HA3 0.588 4.549 3.960 0.000 0.000 0.305 150 G C -0.151 174.688 174.900 -0.101 0.000 1.190 150 G CA -0.750 44.318 45.100 -0.054 0.000 0.933 150 G HN 0.353 nan 8.290 nan 0.000 0.503 151 K N 0.343 120.692 120.400 -0.085 0.000 2.263 151 K HA 0.423 4.744 4.320 0.000 0.000 0.272 151 K C -0.848 175.669 176.600 -0.139 0.000 1.033 151 K CA -0.158 56.062 56.287 -0.112 0.000 0.884 151 K CB 1.763 34.227 32.500 -0.060 0.000 1.107 151 K HN 0.255 nan 8.250 nan 0.000 0.460 152 I N 1.359 121.790 120.570 -0.232 0.000 2.433 152 I HA 0.343 4.513 4.170 0.000 0.000 0.292 152 I C 0.244 176.219 176.117 -0.237 0.000 1.001 152 I CA -0.611 60.495 61.300 -0.324 0.000 1.119 152 I CB 2.191 39.785 38.000 -0.678 0.000 1.289 152 I HN 0.619 nan 8.210 nan 0.000 0.438 153 G N 6.662 115.374 108.800 -0.146 0.000 2.530 153 G HA2 0.691 4.651 3.960 0.000 0.000 0.316 153 G HA3 0.691 4.651 3.960 0.000 0.000 0.316 153 G C -0.971 173.871 174.900 -0.097 0.000 1.298 153 G CA -0.527 44.452 45.100 -0.201 0.000 0.948 153 G HN 0.459 nan 8.290 nan 0.000 0.486 154 L N 2.287 123.420 121.223 -0.150 0.000 2.283 154 L HA 0.446 4.786 4.340 0.000 0.000 0.281 154 L C -0.783 176.053 176.870 -0.056 0.000 1.033 154 L CA -0.631 54.222 54.840 0.022 0.000 0.848 154 L CB 0.568 42.677 42.059 0.083 0.000 1.226 154 L HN 0.306 nan 8.230 nan 0.000 0.429 155 F N 1.431 121.397 119.950 0.026 0.000 2.396 155 F HA 0.753 5.280 4.527 0.000 0.000 0.343 155 F C 1.012 176.852 175.800 0.067 0.000 1.104 155 F CA -0.253 57.753 58.000 0.010 0.000 1.161 155 F CB 1.899 40.885 39.000 -0.024 0.000 1.146 155 F HN 0.473 nan 8.300 nan 0.000 0.522 156 G N 0.994 109.938 108.800 0.241 0.000 2.596 156 G HA2 0.463 4.423 3.960 0.000 0.000 0.296 156 G HA3 0.463 4.423 3.960 0.000 0.000 0.296 156 G C -0.547 174.464 174.900 0.185 0.000 1.513 156 G CA -0.382 44.836 45.100 0.197 0.000 0.851 156 G HN 0.926 nan 8.290 nan 0.000 0.548 157 G N -0.261 108.627 108.800 0.146 0.000 2.590 157 G HA2 0.610 4.570 3.960 0.000 0.000 0.276 157 G HA3 0.610 4.570 3.960 0.000 0.000 0.276 157 G C 0.835 175.905 174.900 0.284 0.000 1.337 157 G CA 0.479 45.683 45.100 0.173 0.000 1.030 157 G HN 1.755 nan 8.290 nan 0.000 0.534 158 A N -1.490 121.519 122.820 0.316 0.000 2.450 158 A HA 0.538 4.858 4.320 0.000 0.000 0.255 158 A C 1.506 179.154 177.584 0.107 0.000 1.096 158 A CA 0.994 53.138 52.037 0.177 0.000 0.778 158 A CB -0.353 18.722 19.000 0.126 0.000 1.031 158 A HN 2.554 nan 8.150 nan 0.000 0.494 159 G N 0.858 109.701 108.800 0.072 0.000 2.153 159 G HA2 -0.216 3.744 3.960 0.000 0.000 0.252 159 G HA3 -0.216 3.744 3.960 0.000 0.000 0.252 159 G C 0.815 175.769 174.900 0.091 0.000 0.994 159 G CA 1.043 46.178 45.100 0.058 0.000 0.698 159 G HN 2.120 nan 8.290 nan 0.000 0.521 160 V N -3.323 116.667 119.914 0.125 0.000 3.052 160 V HA 0.598 4.718 4.120 0.000 0.000 0.254 160 V C 1.762 177.981 176.094 0.209 0.000 1.100 160 V CA 1.530 63.928 62.300 0.164 0.000 1.112 160 V CB 0.196 32.106 31.823 0.145 0.000 0.738 160 V HN 2.151 nan 8.190 nan 0.000 0.469 161 G N 0.144 109.042 108.800 0.163 0.000 2.165 161 G HA2 -0.135 3.826 3.960 0.000 0.000 0.144 161 G HA3 -0.135 3.826 3.960 0.000 0.000 0.144 161 G C 0.443 175.454 174.900 0.185 0.000 1.049 161 G CA 0.137 45.335 45.100 0.163 0.000 0.741 161 G HN 0.417 nan 8.290 nan 0.000 0.493 162 K N -0.155 120.345 120.400 0.166 0.000 2.026 162 K HA -0.057 4.263 4.320 0.000 0.000 0.208 162 K C 2.528 179.228 176.600 0.166 0.000 1.048 162 K CA 1.928 58.314 56.287 0.164 0.000 0.929 162 K CB -0.228 32.355 32.500 0.139 0.000 0.713 162 K HN 0.284 nan 8.250 nan 0.000 0.439 163 T N 1.214 115.859 114.554 0.153 0.000 2.737 163 T HA -0.098 4.252 4.350 0.000 0.000 0.265 163 T C 2.098 176.895 174.700 0.163 0.000 1.038 163 T CA 1.178 63.373 62.100 0.158 0.000 1.144 163 T CB -0.254 68.698 68.868 0.141 0.000 0.866 163 T HN -0.069 nan 8.240 nan 0.000 0.434 164 V N 1.761 121.784 119.914 0.182 0.000 2.282 164 V HA -0.165 3.955 4.120 0.000 0.000 0.249 164 V C 2.445 178.693 176.094 0.258 0.000 1.057 164 V CA 1.511 63.950 62.300 0.232 0.000 1.032 164 V CB -0.737 31.250 31.823 0.273 0.000 0.645 164 V HN 0.313 nan 8.190 nan 0.000 0.447 165 L N -0.348 121.049 121.223 0.290 0.000 2.046 165 L HA -0.134 4.207 4.340 0.000 0.000 0.208 165 L C 2.130 179.088 176.870 0.147 0.000 1.077 165 L CA 1.815 56.830 54.840 0.292 0.000 0.747 165 L CB -0.583 41.671 42.059 0.325 0.000 0.896 165 L HN 0.268 nan 8.230 nan 0.000 0.432 166 I N -1.405 119.258 120.570 0.155 0.000 2.315 166 I HA -0.297 3.873 4.170 0.000 0.000 0.248 166 I C 2.035 178.162 176.117 0.016 0.000 1.117 166 I CA 0.909 62.292 61.300 0.138 0.000 1.404 166 I CB 0.059 38.182 38.000 0.204 0.000 1.071 166 I HN 0.288 nan 8.210 nan 0.000 0.419 167 M N -0.277 119.329 119.600 0.010 0.000 2.175 167 M HA -0.172 4.308 4.480 0.000 0.000 0.264 167 M C 2.097 178.322 176.300 -0.126 0.000 1.063 167 M CA 1.433 56.687 55.300 -0.077 0.000 1.119 167 M CB -1.403 31.175 32.600 -0.036 0.000 1.377 167 M HN 0.145 nan 8.290 nan 0.000 0.415 168 E N 0.836 120.953 120.200 -0.138 0.000 2.077 168 E HA -0.091 4.259 4.350 0.000 0.000 0.193 168 E C 2.051 178.509 176.600 -0.236 0.000 0.989 168 E CA 1.160 57.383 56.400 -0.295 0.000 0.800 168 E CB -0.337 28.914 29.700 -0.748 0.000 0.746 168 E HN 0.485 nan 8.360 nan 0.000 0.452 169 L N -0.060 121.082 121.223 -0.134 0.000 2.083 169 L HA -0.143 4.197 4.340 0.000 0.000 0.209 169 L C 2.396 179.225 176.870 -0.069 0.000 1.083 169 L CA 0.995 55.834 54.840 -0.003 0.000 0.752 169 L CB -0.356 41.823 42.059 0.200 0.000 0.899 169 L HN 0.205 nan 8.230 nan 0.000 0.433 170 I N -0.171 120.220 120.570 -0.300 0.000 2.394 170 I HA -0.276 3.894 4.170 0.000 0.000 0.251 170 I C 2.223 178.232 176.117 -0.180 0.000 1.136 170 I CA 1.308 62.354 61.300 -0.424 0.000 1.425 170 I CB -0.333 37.331 38.000 -0.560 0.000 1.079 170 I HN 0.337 nan 8.210 nan 0.000 0.425 171 N N 0.809 119.420 118.700 -0.149 0.000 2.171 171 N HA -0.148 4.592 4.740 0.000 0.000 0.184 171 N C 1.603 177.072 175.510 -0.067 0.000 1.021 171 N CA 1.417 54.405 53.050 -0.103 0.000 0.854 171 N CB 0.093 38.510 38.487 -0.116 0.000 0.994 171 N HN 0.171 nan 8.380 nan 0.000 0.426 172 N N -0.812 117.847 118.700 -0.068 0.000 2.278 172 N HA 0.017 4.757 4.740 0.000 0.000 0.181 172 N C 1.515 177.037 175.510 0.020 0.000 1.023 172 N CA 0.916 53.945 53.050 -0.035 0.000 0.862 172 N CB -0.218 38.232 38.487 -0.062 0.000 1.003 172 N HN 0.050 nan 8.380 nan 0.000 0.431 173 V N 0.770 120.720 119.914 0.059 0.000 2.341 173 V HA 0.111 4.231 4.120 0.000 0.000 0.240 173 V C 2.195 178.370 176.094 0.134 0.000 1.035 173 V CA 1.535 63.904 62.300 0.115 0.000 1.033 173 V CB -1.006 30.929 31.823 0.187 0.000 0.678 173 V HN 0.249 nan 8.190 nan 0.000 0.464 174 A N -0.292 122.616 122.820 0.147 0.000 2.015 174 A HA -0.159 4.161 4.320 0.000 0.000 0.219 174 A C 2.147 179.810 177.584 0.132 0.000 1.163 174 A CA 1.499 53.637 52.037 0.168 0.000 0.646 174 A CB -0.384 18.699 19.000 0.138 0.000 0.806 174 A HN 0.539 nan 8.150 nan 0.000 0.448 175 K N -0.743 119.697 120.400 0.066 0.000 2.459 175 K HA 0.217 4.537 4.320 0.000 0.000 0.193 175 K C 1.315 177.943 176.600 0.047 0.000 1.030 175 K CA 0.603 56.914 56.287 0.040 0.000 1.026 175 K CB 0.088 32.588 32.500 0.001 0.000 0.809 175 K HN 0.402 nan 8.250 nan 0.000 0.504 176 A N 0.373 123.236 122.820 0.073 0.000 2.390 176 A HA 0.033 4.353 4.320 0.000 0.000 0.232 176 A C -0.154 177.487 177.584 0.095 0.000 1.233 176 A CA -0.145 51.929 52.037 0.062 0.000 0.907 176 A CB -0.195 18.836 19.000 0.053 0.000 0.967 176 A HN 0.205 nan 8.150 nan 0.000 0.512 177 H N -0.537 118.539 119.070 0.010 0.000 2.646 177 H HA 0.465 5.021 4.556 0.000 0.000 0.325 177 H C 1.370 176.673 175.328 -0.041 0.000 1.075 177 H CA 0.318 56.365 56.048 -0.001 0.000 1.421 177 H CB 1.302 31.082 29.762 0.031 0.000 1.461 177 H HN 0.039 nan 8.280 nan 0.000 0.525 178 G N 2.815 111.318 108.800 -0.496 0.000 2.712 178 G HA2 0.091 4.051 3.960 0.000 0.000 0.212 178 G HA3 0.091 4.051 3.960 0.000 0.000 0.212 178 G C 0.865 175.380 174.900 -0.640 0.000 1.142 178 G CA 0.413 45.246 45.100 -0.445 0.000 0.789 178 G HN 0.766 nan 8.290 nan 0.000 0.535 179 G N -0.947 107.168 108.800 -1.142 0.000 2.945 179 G HA2 0.534 4.494 3.960 0.000 0.000 0.156 179 G HA3 0.534 4.494 3.960 0.000 0.000 0.156 179 G C -0.999 173.568 174.900 -0.555 0.000 1.375 179 G CA -0.940 43.666 45.100 -0.823 0.000 1.039 179 G HN 0.168 nan 8.290 nan 0.000 0.586 180 Y N -0.481 119.776 120.300 -0.072 0.000 2.446 180 Y HA 0.571 5.121 4.550 0.000 0.000 0.338 180 Y C 0.370 176.300 175.900 0.049 0.000 1.055 180 Y CA -0.735 57.271 58.100 -0.157 0.000 1.101 180 Y CB 2.466 40.482 38.460 -0.740 0.000 1.221 180 Y HN 0.278 nan 8.280 nan 0.000 0.460 181 S N 1.443 117.292 115.700 0.249 0.000 2.532 181 S HA 0.706 5.176 4.470 0.000 0.000 0.301 181 S C -1.075 173.668 174.600 0.238 0.000 1.083 181 S CA -0.788 57.558 58.200 0.244 0.000 1.025 181 S CB 1.875 65.266 63.200 0.319 0.000 1.056 181 S HN 0.323 nan 8.310 nan 0.000 0.494 182 V N 2.662 122.724 119.914 0.247 0.000 2.588 182 V HA 0.532 4.652 4.120 0.000 0.000 0.304 182 V C -1.303 174.952 176.094 0.268 0.000 1.042 182 V CA -0.679 61.758 62.300 0.229 0.000 0.877 182 V CB 1.520 33.445 31.823 0.169 0.000 0.996 182 V HN 0.859 nan 8.190 nan 0.000 0.425 183 F N 3.729 123.736 119.950 0.095 0.000 2.449 183 F HA 0.785 5.312 4.527 0.000 0.000 0.342 183 F C 0.240 175.961 175.800 -0.132 0.000 1.127 183 F CA -0.510 57.510 58.000 0.034 0.000 0.975 183 F CB 1.343 40.353 39.000 0.017 0.000 1.146 183 F HN 0.563 nan 8.300 nan 0.000 0.444 184 A N 4.591 127.103 122.820 -0.513 0.000 2.256 184 A HA 0.605 4.925 4.320 0.000 0.000 0.317 184 A C 0.110 177.354 177.584 -0.567 0.000 1.318 184 A CA -0.347 51.433 52.037 -0.428 0.000 0.894 184 A CB 0.151 18.971 19.000 -0.300 0.000 1.165 184 A HN 1.006 nan 8.150 nan 0.000 0.525 185 G N 1.436 109.913 108.800 -0.539 0.000 2.365 185 G HA2 0.481 4.441 3.960 0.000 0.000 0.293 185 G HA3 0.481 4.441 3.960 0.000 0.000 0.293 185 G C -0.514 174.354 174.900 -0.053 0.000 1.128 185 G CA -0.073 44.882 45.100 -0.242 0.000 0.971 185 G HN 0.719 nan 8.290 nan 0.000 0.422 186 V N 2.856 122.766 119.914 -0.006 0.000 2.326 186 V HA 0.595 4.715 4.120 0.000 0.000 0.281 186 V C 1.086 177.228 176.094 0.080 0.000 1.015 186 V CA 0.260 62.576 62.300 0.027 0.000 0.823 186 V CB 0.751 32.570 31.823 -0.007 0.000 1.009 186 V HN 1.349 nan 8.190 nan 0.000 0.436 187 G N 3.295 112.153 108.800 0.095 0.000 2.179 187 G HA2 -0.191 3.770 3.960 0.000 0.000 0.257 187 G HA3 -0.191 3.770 3.960 0.000 0.000 0.257 187 G C 0.208 175.170 174.900 0.103 0.000 1.010 187 G CA 0.497 45.653 45.100 0.093 0.000 0.736 187 G HN 0.571 nan 8.290 nan 0.000 0.513 188 E N -0.568 119.708 120.200 0.127 0.000 2.950 188 E HA 0.476 4.826 4.350 0.000 0.000 0.234 188 E C 0.906 177.574 176.600 0.113 0.000 0.936 188 E CA -0.799 55.673 56.400 0.120 0.000 1.114 188 E CB 0.479 30.269 29.700 0.150 0.000 1.555 188 E HN 0.419 nan 8.360 nan 0.000 0.488 189 R N 0.244 120.805 120.500 0.103 0.000 2.308 189 R HA 0.270 4.610 4.340 0.000 0.000 0.305 189 R C 1.117 177.455 176.300 0.063 0.000 1.053 189 R CA -0.073 56.069 56.100 0.069 0.000 0.957 189 R CB 0.488 30.819 30.300 0.050 0.000 1.022 189 R HN 0.383 nan 8.270 nan 0.000 0.461 190 T N 1.886 116.457 114.554 0.028 0.000 2.746 190 T HA -0.167 4.183 4.350 0.000 0.000 0.267 190 T C 1.822 176.493 174.700 -0.050 0.000 1.039 190 T CA 1.037 63.122 62.100 -0.024 0.000 1.142 190 T CB -0.127 68.724 68.868 -0.028 0.000 0.866 190 T HN 0.468 nan 8.240 nan 0.000 0.444 191 R N 1.451 121.942 120.500 -0.015 0.000 2.117 191 R HA -0.148 4.192 4.340 0.000 0.000 0.243 191 R C 1.924 178.221 176.300 -0.005 0.000 1.143 191 R CA 1.730 57.823 56.100 -0.011 0.000 0.968 191 R CB -0.325 29.976 30.300 0.002 0.000 0.863 191 R HN 0.553 nan 8.270 nan 0.000 0.444 192 E N -1.222 118.988 120.200 0.017 0.000 2.150 192 E HA -0.091 4.259 4.350 0.000 0.000 0.193 192 E C 1.859 178.465 176.600 0.009 0.000 0.985 192 E CA 0.950 57.373 56.400 0.039 0.000 0.814 192 E CB -0.219 29.537 29.700 0.095 0.000 0.752 192 E HN 0.566 nan 8.360 nan 0.000 0.466 193 G N 1.266 110.014 108.800 -0.087 0.000 2.418 193 G HA2 -0.346 3.614 3.960 0.000 0.000 0.217 193 G HA3 -0.346 3.614 3.960 0.000 0.000 0.217 193 G C 1.425 176.178 174.900 -0.245 0.000 1.158 193 G CA 1.049 45.892 45.100 -0.428 0.000 0.771 193 G HN 0.194 nan 8.290 nan 0.000 0.545 194 N N 0.632 119.264 118.700 -0.112 0.000 2.069 194 N HA -0.116 4.624 4.740 0.000 0.000 0.191 194 N C 1.783 177.388 175.510 0.158 0.000 1.031 194 N CA 1.715 54.808 53.050 0.071 0.000 0.852 194 N CB -0.139 38.379 38.487 0.051 0.000 1.018 194 N HN 0.135 nan 8.380 nan 0.000 0.423 195 D N 0.089 120.523 120.400 0.057 0.000 2.103 195 D HA -0.175 4.465 4.640 0.000 0.000 0.190 195 D C 1.910 178.229 176.300 0.031 0.000 0.997 195 D CA 0.806 54.830 54.000 0.039 0.000 0.833 195 D CB -0.677 40.127 40.800 0.008 0.000 0.961 195 D HN 0.230 nan 8.370 nan 0.000 0.447 196 L N 0.121 121.338 121.223 -0.009 0.000 2.012 196 L HA -0.207 4.133 4.340 0.000 0.000 0.210 196 L C 2.216 179.085 176.870 -0.003 0.000 1.073 196 L CA 1.634 56.434 54.840 -0.067 0.000 0.748 196 L CB -1.254 40.703 42.059 -0.169 0.000 0.891 196 L HN 0.070 nan 8.230 nan 0.000 0.431 197 Y N 0.198 120.433 120.300 -0.108 0.000 2.097 197 Y HA -0.305 4.245 4.550 0.000 0.000 0.282 197 Y C 2.761 178.543 175.900 -0.197 0.000 1.152 197 Y CA 2.426 60.432 58.100 -0.157 0.000 1.136 197 Y CB -0.703 37.624 38.460 -0.222 0.000 0.975 197 Y HN 0.475 nan 8.280 nan 0.000 0.498 198 H N -0.922 118.091 119.070 -0.094 0.000 2.389 198 H HA -0.059 4.497 4.556 0.000 0.000 0.299 198 H C 2.070 177.305 175.328 -0.155 0.000 1.081 198 H CA 1.472 57.410 56.048 -0.182 0.000 1.345 198 H CB -0.038 29.672 29.762 -0.086 0.000 1.393 198 H HN 0.309 nan 8.280 nan 0.000 0.520 199 E N 0.206 120.400 120.200 -0.010 0.000 2.085 199 E HA -0.177 4.174 4.350 0.000 0.000 0.194 199 E C 1.921 178.466 176.600 -0.093 0.000 0.994 199 E CA 1.342 57.709 56.400 -0.055 0.000 0.801 199 E CB -0.056 29.607 29.700 -0.062 0.000 0.743 199 E HN 0.458 nan 8.360 nan 0.000 0.453 200 M N -0.554 118.974 119.600 -0.121 0.000 2.254 200 M HA -0.044 4.436 4.480 0.000 0.000 0.265 200 M C 1.975 178.186 176.300 -0.148 0.000 1.066 200 M CA 0.914 56.142 55.300 -0.120 0.000 1.123 200 M CB -0.061 32.481 32.600 -0.097 0.000 1.388 200 M HN 0.127 nan 8.290 nan 0.000 0.425 201 I N 0.108 120.536 120.570 -0.237 0.000 2.252 201 I HA -0.253 3.917 4.170 0.000 0.000 0.245 201 I C 2.140 178.177 176.117 -0.133 0.000 1.102 201 I CA 1.342 62.503 61.300 -0.233 0.000 1.385 201 I CB -0.351 37.426 38.000 -0.371 0.000 1.064 201 I HN 0.313 nan 8.210 nan 0.000 0.414 202 E N 0.552 120.688 120.200 -0.106 0.000 2.077 202 E HA -0.206 4.144 4.350 0.000 0.000 0.193 202 E C 2.069 178.632 176.600 -0.062 0.000 0.989 202 E CA 1.765 58.125 56.400 -0.068 0.000 0.800 202 E CB -0.097 29.572 29.700 -0.052 0.000 0.746 202 E HN 0.483 nan 8.360 nan 0.000 0.452 203 S N -0.886 114.774 115.700 -0.066 0.000 2.603 203 S HA 0.160 4.630 4.470 0.000 0.000 0.220 203 S C 1.558 176.129 174.600 -0.048 0.000 0.967 203 S CA 0.395 58.563 58.200 -0.054 0.000 0.920 203 S CB 0.443 63.609 63.200 -0.056 0.000 0.773 203 S HN 0.401 nan 8.310 nan 0.000 0.529 204 G N 0.565 109.332 108.800 -0.056 0.000 2.189 204 G HA2 -0.335 3.625 3.960 0.000 0.000 0.267 204 G HA3 -0.335 3.625 3.960 0.000 0.000 0.267 204 G C 0.799 175.677 174.900 -0.035 0.000 0.975 204 G CA 0.376 45.448 45.100 -0.045 0.000 0.644 204 G HN 0.645 nan 8.290 nan 0.000 0.537 205 V N 0.324 120.215 119.914 -0.038 0.000 2.407 205 V HA 0.038 4.158 4.120 0.000 0.000 0.248 205 V C 1.732 177.820 176.094 -0.010 0.000 1.055 205 V CA 1.919 64.208 62.300 -0.017 0.000 1.049 205 V CB -0.205 31.605 31.823 -0.022 0.000 0.662 205 V HN 0.519 nan 8.190 nan 0.000 0.455 206 I N 1.130 121.674 120.570 -0.043 0.000 2.336 206 I HA 0.293 4.463 4.170 0.000 0.000 0.292 206 I C -0.176 175.906 176.117 -0.059 0.000 0.991 206 I CA -0.158 61.117 61.300 -0.041 0.000 1.227 206 I CB 1.198 39.152 38.000 -0.078 0.000 1.366 206 I HN 0.118 nan 8.210 nan 0.000 0.466 207 N N 6.799 125.482 118.700 -0.029 0.000 2.479 207 N HA 0.337 5.077 4.740 0.000 0.000 0.261 207 N C 0.220 175.717 175.510 -0.022 0.000 0.979 207 N CA -0.376 52.657 53.050 -0.029 0.000 0.930 207 N CB 1.516 39.996 38.487 -0.012 0.000 1.172 207 N HN 0.555 nan 8.380 nan 0.000 0.499 208 L N 2.999 124.200 121.223 -0.036 0.000 2.554 208 L HA 0.049 4.389 4.340 0.000 0.000 0.226 208 L C 1.732 178.598 176.870 -0.008 0.000 1.137 208 L CA 0.618 55.446 54.840 -0.021 0.000 0.863 208 L CB -0.001 42.036 42.059 -0.036 0.000 0.985 208 L HN 0.534 nan 8.230 nan 0.000 0.451 209 K N -0.726 119.669 120.400 -0.010 0.000 2.358 209 K HA 0.159 4.479 4.320 0.000 0.000 0.200 209 K C -0.367 176.233 176.600 0.000 0.000 1.030 209 K CA -0.015 56.270 56.287 -0.004 0.000 1.097 209 K CB 0.322 32.818 32.500 -0.007 0.000 0.862 209 K HN 0.240 nan 8.250 nan 0.000 0.534 210 D N -0.793 119.608 120.400 0.003 0.000 2.825 210 D HA 0.224 4.864 4.640 0.000 0.000 0.327 210 D C -0.629 175.679 176.300 0.013 0.000 1.277 210 D CA -0.726 53.278 54.000 0.007 0.000 0.950 210 D CB 0.479 41.283 40.800 0.007 0.000 1.438 210 D HN -0.107 nan 8.370 nan 0.000 0.526 211 A N -0.686 122.145 122.820 0.018 0.000 2.411 211 A HA 0.324 4.644 4.320 0.000 0.000 0.251 211 A C 1.095 178.702 177.584 0.038 0.000 1.317 211 A CA 0.698 52.750 52.037 0.025 0.000 0.904 211 A CB -1.114 17.901 19.000 0.025 0.000 0.993 211 A HN 0.587 nan 8.150 nan 0.000 0.504 212 T N -3.229 111.345 114.554 0.034 0.000 3.069 212 T HA 0.178 4.529 4.350 0.000 0.000 0.252 212 T C 0.620 175.354 174.700 0.056 0.000 1.053 212 T CA 0.184 62.312 62.100 0.046 0.000 0.964 212 T CB -0.286 68.599 68.868 0.027 0.000 1.005 212 T HN 0.149 nan 8.240 nan 0.000 0.532 213 S N 2.237 117.966 115.700 0.048 0.000 2.560 213 S HA 0.233 4.703 4.470 0.000 0.000 0.284 213 S C 0.889 175.543 174.600 0.090 0.000 1.327 213 S CA -0.509 57.723 58.200 0.053 0.000 1.055 213 S CB 0.693 63.918 63.200 0.042 0.000 0.868 213 S HN 0.256 nan 8.310 nan 0.000 0.506 214 K N 1.165 121.630 120.400 0.110 0.000 2.402 214 K HA 0.259 4.580 4.320 0.000 0.000 0.204 214 K C -0.569 176.135 176.600 0.173 0.000 1.056 214 K CA 0.176 56.580 56.287 0.195 0.000 1.069 214 K CB 0.665 33.259 32.500 0.157 0.000 0.888 214 K HN 0.404 nan 8.250 nan 0.000 0.546 215 V N 0.809 120.795 119.914 0.120 0.000 2.656 215 V HA 0.621 4.741 4.120 0.000 0.000 0.307 215 V C -0.526 175.647 176.094 0.133 0.000 1.051 215 V CA -1.473 60.910 62.300 0.139 0.000 0.893 215 V CB 1.808 33.715 31.823 0.141 0.000 0.999 215 V HN 0.093 nan 8.190 nan 0.000 0.426 216 A N 5.133 128.053 122.820 0.166 0.000 2.304 216 A HA 0.891 5.211 4.320 0.000 0.000 0.323 216 A C -0.807 176.881 177.584 0.173 0.000 1.195 216 A CA -0.505 51.629 52.037 0.161 0.000 0.826 216 A CB 0.667 19.780 19.000 0.189 0.000 1.184 216 A HN 0.818 nan 8.150 nan 0.000 0.496 217 L N 2.754 124.075 121.223 0.163 0.000 2.307 217 L HA 0.637 4.978 4.340 0.000 0.000 0.284 217 L C -0.866 176.079 176.870 0.124 0.000 1.023 217 L CA -0.863 54.089 54.840 0.187 0.000 0.810 217 L CB 1.796 44.032 42.059 0.295 0.000 1.231 217 L HN 0.409 nan 8.230 nan 0.000 0.423 218 V N 3.077 123.002 119.914 0.017 0.000 2.531 218 V HA 0.444 4.564 4.120 0.000 0.000 0.301 218 V C -1.202 174.801 176.094 -0.152 0.000 1.034 218 V CA -0.642 61.652 62.300 -0.010 0.000 0.865 218 V CB 1.804 33.603 31.823 -0.039 0.000 0.995 218 V HN 0.440 nan 8.190 nan 0.000 0.424 219 Y N 1.645 121.977 120.300 0.053 0.000 2.425 219 Y HA 0.754 5.304 4.550 0.000 0.000 0.344 219 Y C 0.584 176.506 175.900 0.036 0.000 0.969 219 Y CA -0.629 57.507 58.100 0.059 0.000 1.052 219 Y CB 2.754 41.242 38.460 0.046 0.000 1.215 219 Y HN 0.712 nan 8.280 nan 0.000 0.451 220 G N 3.832 112.744 108.800 0.186 0.000 3.191 220 G HA2 0.320 4.280 3.960 0.000 0.000 0.309 220 G HA3 0.320 4.280 3.960 0.000 0.000 0.309 220 G C -1.008 173.968 174.900 0.127 0.000 1.596 220 G CA -0.546 44.628 45.100 0.124 0.000 0.955 220 G HN 0.320 nan 8.290 nan 0.000 0.508 221 Q N 1.105 120.990 119.800 0.142 0.000 2.177 221 Q HA 0.310 4.650 4.340 0.000 0.000 0.183 221 Q C 2.073 178.124 176.000 0.085 0.000 1.040 221 Q CA -0.751 55.132 55.803 0.134 0.000 1.089 221 Q CB 0.714 29.538 28.738 0.143 0.000 1.130 221 Q HN 0.709 nan 8.270 nan 0.000 0.575 222 M N -0.171 119.475 119.600 0.076 0.000 2.557 222 M HA -0.031 4.449 4.480 0.000 0.000 0.259 222 M C 0.984 177.310 176.300 0.043 0.000 1.086 222 M CA 1.261 56.595 55.300 0.057 0.000 1.096 222 M CB -0.363 32.270 32.600 0.054 0.000 1.424 222 M HN 0.393 nan 8.290 nan 0.000 0.488 223 N N 0.887 119.611 118.700 0.040 0.000 2.512 223 N HA -0.070 4.670 4.740 0.000 0.000 0.183 223 N C -0.179 175.348 175.510 0.028 0.000 1.073 223 N CA 0.710 53.778 53.050 0.030 0.000 0.911 223 N CB -0.359 38.142 38.487 0.023 0.000 0.964 223 N HN 0.489 nan 8.380 nan 0.000 0.447 224 E N 2.068 122.289 120.200 0.035 0.000 2.313 224 E HA 0.308 4.658 4.350 0.000 0.000 0.272 224 E C -2.125 174.490 176.600 0.025 0.000 1.038 224 E CA -2.003 54.416 56.400 0.031 0.000 0.863 224 E CB 0.874 30.598 29.700 0.040 0.000 1.060 224 E HN 0.253 nan 8.360 nan 0.000 0.402 225 P HA 0.047 nan 4.420 nan 0.000 0.271 225 P C -2.008 175.298 177.300 0.010 0.000 1.233 225 P CA -1.099 62.009 63.100 0.013 0.000 0.789 225 P CB 0.136 31.844 31.700 0.012 0.000 0.951 226 P HA -0.108 nan 4.420 nan 0.000 0.226 226 P C 1.594 178.886 177.300 -0.014 0.000 1.153 226 P CA 1.433 64.526 63.100 -0.013 0.000 0.777 226 P CB -0.535 31.150 31.700 -0.025 0.000 0.794 227 G N 0.984 109.783 108.800 -0.001 0.000 2.421 227 G HA2 -0.218 3.742 3.960 0.000 0.000 0.216 227 G HA3 -0.218 3.742 3.960 0.000 0.000 0.216 227 G C 1.802 176.715 174.900 0.022 0.000 1.171 227 G CA 1.038 46.143 45.100 0.009 0.000 0.775 227 G HN 0.333 nan 8.290 nan 0.000 0.543 228 A N 0.663 123.498 122.820 0.025 0.000 1.908 228 A HA -0.030 4.290 4.320 0.000 0.000 0.218 228 A C 2.432 180.039 177.584 0.038 0.000 1.181 228 A CA 1.716 53.773 52.037 0.033 0.000 0.627 228 A CB -0.411 18.610 19.000 0.034 0.000 0.818 228 A HN 0.349 nan 8.150 nan 0.000 0.445 229 R N -0.789 119.729 120.500 0.030 0.000 2.092 229 R HA -0.049 4.291 4.340 0.000 0.000 0.231 229 R C 2.379 178.706 176.300 0.046 0.000 1.119 229 R CA 1.099 57.220 56.100 0.035 0.000 0.970 229 R CB -0.371 29.940 30.300 0.018 0.000 0.864 229 R HN 0.519 nan 8.270 nan 0.000 0.440 230 A N 0.576 123.402 122.820 0.010 0.000 2.015 230 A HA -0.071 4.249 4.320 0.000 0.000 0.219 230 A C 1.811 179.490 177.584 0.159 0.000 1.163 230 A CA 1.030 53.059 52.037 -0.014 0.000 0.646 230 A CB 0.014 18.951 19.000 -0.106 0.000 0.806 230 A HN 0.068 nan 8.150 nan 0.000 0.448 231 R N -0.705 119.861 120.500 0.110 0.000 2.279 231 R HA 0.061 4.401 4.340 0.000 0.000 0.195 231 R C 2.008 178.331 176.300 0.039 0.000 0.905 231 R CA 1.187 57.342 56.100 0.091 0.000 1.044 231 R CB -0.988 29.349 30.300 0.062 0.000 1.056 231 R HN 0.534 nan 8.270 nan 0.000 0.535 232 V N -0.875 119.064 119.914 0.042 0.000 2.392 232 V HA -0.125 3.995 4.120 0.000 0.000 0.249 232 V C 2.300 178.370 176.094 -0.041 0.000 1.059 232 V CA 1.853 64.154 62.300 0.003 0.000 1.051 232 V CB -1.221 30.610 31.823 0.014 0.000 0.658 232 V HN 0.119 nan 8.190 nan 0.000 0.455 233 A N 1.066 123.863 122.820 -0.038 0.000 1.933 233 A HA -0.053 4.267 4.320 0.000 0.000 0.218 233 A C 2.250 179.736 177.584 -0.164 0.000 1.175 233 A CA 2.161 54.118 52.037 -0.134 0.000 0.628 233 A CB -0.660 18.212 19.000 -0.214 0.000 0.814 233 A HN 0.606 nan 8.150 nan 0.000 0.444 234 L N -0.781 120.356 121.223 -0.144 0.000 2.083 234 L HA -0.159 4.181 4.340 0.000 0.000 0.209 234 L C 2.714 179.498 176.870 -0.143 0.000 1.083 234 L CA 1.740 56.478 54.840 -0.171 0.000 0.752 234 L CB -1.324 40.606 42.059 -0.215 0.000 0.899 234 L HN 0.335 nan 8.230 nan 0.000 0.433 235 T N 0.020 114.509 114.554 -0.109 0.000 2.708 235 T HA -0.123 4.227 4.350 0.000 0.000 0.266 235 T C 1.904 176.555 174.700 -0.081 0.000 1.037 235 T CA 1.452 63.502 62.100 -0.083 0.000 1.146 235 T CB -0.564 68.274 68.868 -0.051 0.000 0.865 235 T HN 0.558 nan 8.240 nan 0.000 0.435 236 G N 2.086 110.832 108.800 -0.090 0.000 2.404 236 G HA2 -0.112 3.848 3.960 0.000 0.000 0.215 236 G HA3 -0.112 3.848 3.960 0.000 0.000 0.215 236 G C 1.584 176.435 174.900 -0.083 0.000 1.174 236 G CA 1.114 46.162 45.100 -0.087 0.000 0.780 236 G HN 0.569 nan 8.290 nan 0.000 0.537 237 L N -0.384 120.772 121.223 -0.112 0.000 2.201 237 L HA 0.152 4.492 4.340 0.000 0.000 0.212 237 L C 2.429 179.256 176.870 -0.072 0.000 1.105 237 L CA 2.434 57.212 54.840 -0.102 0.000 0.775 237 L CB -1.221 40.753 42.059 -0.142 0.000 0.913 237 L HN 0.017 nan 8.230 nan 0.000 0.440 238 T N 0.010 114.517 114.554 -0.080 0.000 2.708 238 T HA -0.136 4.214 4.350 0.000 0.000 0.266 238 T C 2.016 176.679 174.700 -0.061 0.000 1.037 238 T CA 1.847 63.908 62.100 -0.065 0.000 1.146 238 T CB -0.486 68.337 68.868 -0.076 0.000 0.865 238 T HN 0.246 nan 8.240 nan 0.000 0.435 239 V N 1.812 121.679 119.914 -0.078 0.000 2.287 239 V HA -0.214 3.906 4.120 0.000 0.000 0.248 239 V C 2.897 178.962 176.094 -0.047 0.000 1.053 239 V CA 1.809 64.037 62.300 -0.121 0.000 1.027 239 V CB -1.266 30.518 31.823 -0.065 0.000 0.646 239 V HN 0.545 nan 8.190 nan 0.000 0.447 240 A N -0.519 122.339 122.820 0.062 0.000 1.902 240 A HA -0.260 4.060 4.320 0.000 0.000 0.217 240 A C 2.176 179.832 177.584 0.120 0.000 1.181 240 A CA 1.943 54.073 52.037 0.155 0.000 0.623 240 A CB -0.525 18.514 19.000 0.066 0.000 0.818 240 A HN 0.625 nan 8.150 nan 0.000 0.443 241 E N -1.664 118.559 120.200 0.039 0.000 2.085 241 E HA -0.245 4.105 4.350 0.000 0.000 0.194 241 E C 1.846 178.464 176.600 0.030 0.000 0.994 241 E CA 1.598 58.013 56.400 0.024 0.000 0.801 241 E CB -0.340 29.359 29.700 -0.001 0.000 0.743 241 E HN 0.809 nan 8.360 nan 0.000 0.453 242 Y N 0.416 120.645 120.300 -0.119 0.000 2.114 242 Y HA -0.265 4.285 4.550 0.000 0.000 0.284 242 Y C 1.875 177.729 175.900 -0.077 0.000 1.143 242 Y CA 1.730 59.728 58.100 -0.169 0.000 1.135 242 Y CB -0.461 37.789 38.460 -0.349 0.000 0.980 242 Y HN -0.020 nan 8.280 nan 0.000 0.499 243 F N 0.134 120.172 119.950 0.145 0.000 2.126 243 F HA -0.254 4.274 4.527 0.000 0.000 0.299 243 F C 2.825 178.624 175.800 -0.002 0.000 1.096 243 F CA 1.519 59.580 58.000 0.103 0.000 1.255 243 F CB -0.396 38.731 39.000 0.210 0.000 0.997 243 F HN -0.018 nan 8.300 nan 0.000 0.479 244 R N 0.595 121.198 120.500 0.171 0.000 2.073 244 R HA -0.174 4.166 4.340 0.000 0.000 0.234 244 R C 1.485 177.782 176.300 -0.005 0.000 1.134 244 R CA 2.190 58.334 56.100 0.073 0.000 0.952 244 R CB -0.288 30.038 30.300 0.043 0.000 0.850 244 R HN 0.190 nan 8.270 nan 0.000 0.433 245 D N -0.626 119.733 120.400 -0.067 0.000 2.277 245 D HA -0.044 4.596 4.640 0.000 0.000 0.209 245 D C 1.730 177.937 176.300 -0.156 0.000 0.970 245 D CA 0.678 54.620 54.000 -0.097 0.000 0.874 245 D CB 0.218 40.965 40.800 -0.088 0.000 0.982 245 D HN 0.208 nan 8.370 nan 0.000 0.504 246 Q N 0.260 119.877 119.800 -0.305 0.000 2.378 246 Q HA 0.203 4.543 4.340 0.000 0.000 0.216 246 Q C 0.329 176.195 176.000 -0.224 0.000 0.892 246 Q CA 0.411 55.990 55.803 -0.372 0.000 0.931 246 Q CB 1.260 29.508 28.738 -0.817 0.000 1.086 246 Q HN 0.404 nan 8.270 nan 0.000 0.528 247 E N -0.922 119.201 120.200 -0.128 0.000 2.281 247 E HA 0.489 4.839 4.350 0.000 0.000 0.262 247 E C 0.139 176.753 176.600 0.023 0.000 0.933 247 E CA -0.492 55.921 56.400 0.023 0.000 0.809 247 E CB 1.347 31.169 29.700 0.203 0.000 1.242 247 E HN 0.118 nan 8.360 nan 0.000 0.418 248 G N 0.668 109.479 108.800 0.020 0.000 3.042 248 G HA2 -0.022 3.938 3.960 0.000 0.000 0.212 248 G HA3 -0.022 3.938 3.960 0.000 0.000 0.212 248 G C 0.222 175.105 174.900 -0.028 0.000 1.166 248 G CA 0.090 45.185 45.100 -0.008 0.000 0.767 248 G HN 0.247 nan 8.290 nan 0.000 0.546 249 Q N 0.696 120.476 119.800 -0.035 0.000 2.226 249 Q HA 0.324 4.664 4.340 0.000 0.000 0.256 249 Q C -1.126 174.852 176.000 -0.036 0.000 0.962 249 Q CA -0.995 54.746 55.803 -0.103 0.000 0.887 249 Q CB 1.522 30.097 28.738 -0.271 0.000 1.282 249 Q HN 0.040 nan 8.270 nan 0.000 0.449 250 D N 0.852 121.234 120.400 -0.029 0.000 2.372 250 D HA 0.203 4.843 4.640 0.000 0.000 0.243 250 D C -0.655 175.762 176.300 0.196 0.000 1.121 250 D CA 0.006 54.057 54.000 0.085 0.000 0.898 250 D CB 0.996 41.885 40.800 0.148 0.000 1.202 250 D HN 0.085 nan 8.370 nan 0.000 0.428 251 V N 2.037 122.036 119.914 0.142 0.000 2.628 251 V HA 0.399 4.519 4.120 0.000 0.000 0.306 251 V C 0.131 176.188 176.094 -0.062 0.000 1.045 251 V CA -0.883 61.492 62.300 0.124 0.000 0.905 251 V CB 1.619 33.522 31.823 0.133 0.000 0.997 251 V HN 0.294 nan 8.190 nan 0.000 0.436 252 L N 4.869 126.006 121.223 -0.143 0.000 2.307 252 L HA 0.621 4.961 4.340 0.000 0.000 0.284 252 L C -0.891 175.811 176.870 -0.280 0.000 1.023 252 L CA -0.609 54.024 54.840 -0.345 0.000 0.810 252 L CB 1.706 43.529 42.059 -0.394 0.000 1.231 252 L HN 0.465 nan 8.230 nan 0.000 0.423 253 L N 3.892 124.837 121.223 -0.463 0.000 2.343 253 L HA 0.586 4.926 4.340 0.000 0.000 0.278 253 L C -1.318 175.236 176.870 -0.527 0.000 0.996 253 L CA 0.136 54.778 54.840 -0.330 0.000 0.831 253 L CB 1.114 43.050 42.059 -0.204 0.000 1.232 253 L HN 0.208 nan 8.230 nan 0.000 0.413 254 F N 5.808 125.656 119.950 -0.169 0.000 2.469 254 F HA 0.660 5.187 4.527 0.000 0.000 0.332 254 F C -0.022 175.423 175.800 -0.592 0.000 1.103 254 F CA -0.545 57.293 58.000 -0.271 0.000 0.979 254 F CB 1.583 40.536 39.000 -0.078 0.000 1.137 254 F HN 0.214 nan 8.300 nan 0.000 0.463 255 I N 2.535 122.895 120.570 -0.349 0.000 2.500 255 I HA 0.270 4.440 4.170 0.000 0.000 0.286 255 I C -1.491 174.442 176.117 -0.306 0.000 1.063 255 I CA -0.517 60.518 61.300 -0.442 0.000 1.062 255 I CB 2.006 39.829 38.000 -0.294 0.000 1.223 255 I HN 0.427 nan 8.210 nan 0.000 0.435 256 D N 6.243 126.447 120.400 -0.327 0.000 2.469 256 D HA 0.302 4.943 4.640 0.000 0.000 0.251 256 D C -1.262 175.043 176.300 0.008 0.000 1.173 256 D CA -0.165 53.807 54.000 -0.046 0.000 0.882 256 D CB 1.164 42.058 40.800 0.157 0.000 1.129 256 D HN 0.436 nan 8.370 nan 0.000 0.549 257 N N 4.214 122.937 118.700 0.038 0.000 2.310 257 N HA 0.167 4.907 4.740 0.000 0.000 0.292 257 N C 0.323 175.879 175.510 0.076 0.000 1.049 257 N CA -0.474 52.615 53.050 0.065 0.000 0.849 257 N CB 1.721 40.295 38.487 0.144 0.000 1.532 257 N HN 0.283 nan 8.380 nan 0.000 0.479 258 I N 3.772 124.360 120.570 0.029 0.000 2.676 258 I HA -0.023 4.147 4.170 0.000 0.000 0.259 258 I C 1.712 177.911 176.117 0.136 0.000 1.194 258 I CA 0.530 61.841 61.300 0.019 0.000 1.473 258 I CB -0.451 37.487 38.000 -0.103 0.000 1.096 258 I HN 0.615 nan 8.210 nan 0.000 0.443 259 F N 1.502 121.491 119.950 0.065 0.000 2.192 259 F HA -0.242 4.285 4.527 0.000 0.000 0.301 259 F C 2.252 178.151 175.800 0.165 0.000 1.079 259 F CA 1.606 59.682 58.000 0.126 0.000 1.303 259 F CB -0.306 38.809 39.000 0.191 0.000 1.024 259 F HN -0.017 nan 8.300 nan 0.000 0.494 260 R N -0.292 120.227 120.500 0.032 0.000 2.235 260 R HA -0.132 4.208 4.340 0.000 0.000 0.213 260 R C 2.143 178.391 176.300 -0.086 0.000 1.059 260 R CA 1.086 57.142 56.100 -0.075 0.000 0.997 260 R CB -1.408 28.951 30.300 0.098 0.000 0.884 260 R HN 0.496 nan 8.270 nan 0.000 0.462 261 F N 1.572 121.431 119.950 -0.152 0.000 2.146 261 F HA -0.133 4.394 4.527 0.000 0.000 0.298 261 F C 1.939 177.647 175.800 -0.153 0.000 1.096 261 F CA 1.452 59.376 58.000 -0.127 0.000 1.275 261 F CB -0.249 38.686 39.000 -0.108 0.000 1.008 261 F HN -0.167 nan 8.300 nan 0.000 0.480 262 T N 0.257 114.639 114.554 -0.285 0.000 2.770 262 T HA -0.216 4.134 4.350 0.000 0.000 0.263 262 T C 1.901 176.394 174.700 -0.345 0.000 1.039 262 T CA 1.511 63.392 62.100 -0.365 0.000 1.142 262 T CB -0.399 68.363 68.868 -0.177 0.000 0.868 262 T HN 0.430 nan 8.240 nan 0.000 0.435 263 Q N 0.680 120.165 119.800 -0.525 0.000 2.096 263 Q HA -0.162 4.178 4.340 0.000 0.000 0.204 263 Q C 2.463 178.345 176.000 -0.197 0.000 0.982 263 Q CA 1.674 57.258 55.803 -0.366 0.000 0.850 263 Q CB -0.312 28.104 28.738 -0.537 0.000 0.901 263 Q HN 0.535 nan 8.270 nan 0.000 0.422 264 A N 0.381 123.070 122.820 -0.219 0.000 1.908 264 A HA -0.137 4.183 4.320 0.000 0.000 0.218 264 A C 2.275 179.761 177.584 -0.164 0.000 1.181 264 A CA 1.704 53.648 52.037 -0.155 0.000 0.627 264 A CB -1.335 17.582 19.000 -0.137 0.000 0.818 264 A HN 0.616 nan 8.150 nan 0.000 0.445 265 G N -0.157 108.490 108.800 -0.254 0.000 2.432 265 G HA2 -0.192 3.768 3.960 0.000 0.000 0.219 265 G HA3 -0.192 3.768 3.960 0.000 0.000 0.219 265 G C 1.939 176.776 174.900 -0.106 0.000 1.135 265 G CA 1.750 46.724 45.100 -0.209 0.000 0.767 265 G HN 0.892 nan 8.290 nan 0.000 0.550 266 S N 0.515 116.174 115.700 -0.068 0.000 2.423 266 S HA -0.040 4.430 4.470 0.000 0.000 0.231 266 S C 1.909 176.485 174.600 -0.039 0.000 1.014 266 S CA 1.439 59.630 58.200 -0.015 0.000 0.965 266 S CB -0.271 62.943 63.200 0.024 0.000 0.785 266 S HN 0.557 nan 8.310 nan 0.000 0.495 267 E N 0.811 120.980 120.200 -0.051 0.000 2.204 267 E HA -0.060 4.290 4.350 0.000 0.000 0.194 267 E C 1.904 178.486 176.600 -0.029 0.000 0.989 267 E CA 1.450 57.828 56.400 -0.038 0.000 0.824 267 E CB -0.126 29.553 29.700 -0.035 0.000 0.756 267 E HN 0.746 nan 8.360 nan 0.000 0.477 268 V N -3.238 116.656 119.914 -0.033 0.000 3.605 268 V HA 0.165 4.285 4.120 0.000 0.000 0.284 268 V C 1.997 178.080 176.094 -0.019 0.000 1.386 268 V CA 0.418 62.703 62.300 -0.024 0.000 1.053 268 V CB 0.786 32.594 31.823 -0.024 0.000 0.857 268 V HN 0.010 nan 8.190 nan 0.000 0.436 269 S N 1.701 117.388 115.700 -0.021 0.000 2.365 269 S HA -0.190 4.280 4.470 0.000 0.000 0.225 269 S C 2.180 176.776 174.600 -0.006 0.000 1.039 269 S CA 2.323 60.515 58.200 -0.013 0.000 1.033 269 S CB -0.395 62.801 63.200 -0.005 0.000 0.887 269 S HN 0.988 nan 8.310 nan 0.000 0.447 270 A N 1.188 124.004 122.820 -0.007 0.000 1.902 270 A HA 0.061 4.381 4.320 0.000 0.000 0.217 270 A C 2.179 179.762 177.584 -0.002 0.000 1.181 270 A CA 1.360 53.395 52.037 -0.003 0.000 0.623 270 A CB -0.755 18.241 19.000 -0.006 0.000 0.818 270 A HN 0.578 nan 8.150 nan 0.000 0.443 271 L N -0.659 120.562 121.223 -0.003 0.000 2.275 271 L HA -0.065 4.275 4.340 0.000 0.000 0.215 271 L C 1.888 178.759 176.870 0.002 0.000 1.119 271 L CA 0.521 55.360 54.840 -0.001 0.000 0.790 271 L CB -0.338 41.720 42.059 -0.002 0.000 0.919 271 L HN 0.363 nan 8.230 nan 0.000 0.443 272 L N -0.407 120.817 121.223 0.001 0.000 2.599 272 L HA 0.097 4.437 4.340 0.000 0.000 0.230 272 L C 1.336 178.210 176.870 0.006 0.000 1.141 272 L CA 0.549 55.392 54.840 0.004 0.000 0.877 272 L CB -0.356 41.703 42.059 0.000 0.000 1.009 272 L HN 0.454 nan 8.230 nan 0.000 0.447 273 G N 0.455 109.259 108.800 0.005 0.000 2.130 273 G HA2 -0.246 3.714 3.960 0.000 0.000 0.216 273 G HA3 -0.246 3.714 3.960 0.000 0.000 0.216 273 G C 0.015 174.919 174.900 0.007 0.000 0.999 273 G CA -0.395 44.709 45.100 0.006 0.000 0.686 273 G HN 0.290 nan 8.290 nan 0.000 0.515 274 R N -0.392 120.112 120.500 0.006 0.000 2.428 274 R HA 0.693 5.033 4.340 0.000 0.000 0.294 274 R C 1.023 177.329 176.300 0.009 0.000 1.000 274 R CA -0.736 55.369 56.100 0.008 0.000 0.960 274 R CB 0.937 31.243 30.300 0.009 0.000 1.076 274 R HN 0.299 nan 8.270 nan 0.000 0.475 275 I N 4.974 125.551 120.570 0.012 0.000 2.618 275 I HA 0.097 4.267 4.170 0.000 0.000 0.284 275 I C -1.543 174.584 176.117 0.018 0.000 1.146 275 I CA -1.520 59.787 61.300 0.013 0.000 1.425 275 I CB 0.521 38.529 38.000 0.013 0.000 1.383 275 I HN 0.348 nan 8.210 nan 0.000 0.562 276 P HA 0.077 nan 4.420 nan 0.000 0.271 276 P C -0.341 176.982 177.300 0.037 0.000 1.218 276 P CA -0.220 62.895 63.100 0.025 0.000 0.780 276 P CB 1.326 33.033 31.700 0.012 0.000 0.901 277 S N 0.970 116.706 115.700 0.060 0.000 2.495 277 S HA 0.595 5.065 4.470 0.000 0.000 0.273 277 S C 0.077 174.727 174.600 0.083 0.000 1.156 277 S CA -0.375 57.868 58.200 0.072 0.000 1.032 277 S CB 0.001 63.255 63.200 0.090 0.000 1.160 277 S HN 0.613 nan 8.310 nan 0.000 0.489 278 A N 0.160 123.041 122.820 0.102 0.000 2.425 278 A HA 0.504 4.824 4.320 0.000 0.000 0.249 278 A C 0.707 178.386 177.584 0.157 0.000 1.084 278 A CA 0.076 52.176 52.037 0.104 0.000 0.781 278 A CB -0.358 18.700 19.000 0.096 0.000 1.019 278 A HN 1.560 nan 8.150 nan 0.000 0.490 279 V N 1.283 121.255 119.914 0.098 0.000 4.868 279 V HA -0.289 3.831 4.120 0.000 0.000 0.274 279 V C 1.663 177.697 176.094 -0.101 0.000 0.450 279 V CA 1.595 63.929 62.300 0.056 0.000 0.773 279 V CB -2.477 29.453 31.823 0.179 0.000 0.704 279 V HN 2.859 nan 8.190 nan 0.000 1.326 280 G N -2.261 106.502 108.800 -0.060 0.000 2.168 280 G HA2 -0.357 3.603 3.960 0.000 0.000 0.263 280 G HA3 -0.357 3.603 3.960 0.000 0.000 0.263 280 G C -0.108 174.707 174.900 -0.142 0.000 0.977 280 G CA 0.647 45.676 45.100 -0.118 0.000 0.659 280 G HN 0.883 nan 8.290 nan 0.000 0.533 281 Y N 1.207 121.522 120.300 0.025 0.000 2.300 281 Y HA 0.432 4.982 4.550 0.000 0.000 0.328 281 Y C 1.352 177.253 175.900 0.001 0.000 1.270 281 Y CA -0.377 57.732 58.100 0.013 0.000 1.352 281 Y CB 0.559 39.035 38.460 0.027 0.000 1.286 281 Y HN 0.365 nan 8.280 nan 0.000 0.536 282 Q N 3.536 123.447 119.800 0.185 0.000 2.395 282 Q HA 0.022 4.362 4.340 0.000 0.000 0.271 282 Q C -2.273 173.775 176.000 0.079 0.000 1.026 282 Q CA -1.455 54.400 55.803 0.086 0.000 0.900 282 Q CB 0.767 29.527 28.738 0.038 0.000 1.266 282 Q HN 0.412 nan 8.270 nan 0.000 0.430 283 P HA -0.112 nan 4.420 nan 0.000 0.222 283 P C 0.839 178.159 177.300 0.033 0.000 1.147 283 P CA 1.484 64.610 63.100 0.043 0.000 0.790 283 P CB -0.059 31.659 31.700 0.031 0.000 0.780 284 T N -3.795 110.774 114.554 0.025 0.000 3.163 284 T HA 0.149 4.499 4.350 0.000 0.000 0.252 284 T C 1.576 176.286 174.700 0.018 0.000 1.056 284 T CA -0.333 61.779 62.100 0.020 0.000 0.947 284 T CB -0.939 67.935 68.868 0.011 0.000 1.016 284 T HN -0.037 nan 8.240 nan 0.000 0.554 285 L N 1.204 122.434 121.223 0.012 0.000 1.997 285 L HA -0.173 4.167 4.340 0.000 0.000 0.216 285 L C 2.771 179.654 176.870 0.021 0.000 1.074 285 L CA 2.188 57.019 54.840 -0.015 0.000 0.763 285 L CB -0.695 41.322 42.059 -0.070 0.000 0.890 285 L HN 0.392 nan 8.230 nan 0.000 0.434 286 A N -0.923 121.919 122.820 0.037 0.000 1.897 286 A HA -0.181 4.139 4.320 0.000 0.000 0.215 286 A C 2.330 179.972 177.584 0.096 0.000 1.181 286 A CA 2.025 54.107 52.037 0.075 0.000 0.620 286 A CB -1.142 17.898 19.000 0.067 0.000 0.821 286 A HN 0.649 nan 8.150 nan 0.000 0.443 287 T N -2.071 112.526 114.554 0.071 0.000 2.812 287 T HA -0.126 4.225 4.350 0.000 0.000 0.264 287 T C 1.380 176.130 174.700 0.084 0.000 1.042 287 T CA 1.404 63.548 62.100 0.072 0.000 1.140 287 T CB -0.486 68.412 68.868 0.050 0.000 0.870 287 T HN 0.312 nan 8.240 nan 0.000 0.445 288 D N 0.999 121.453 120.400 0.088 0.000 2.104 288 D HA -0.074 4.566 4.640 0.000 0.000 0.194 288 D C 1.997 178.438 176.300 0.234 0.000 0.994 288 D CA 1.135 55.222 54.000 0.144 0.000 0.830 288 D CB -0.444 40.406 40.800 0.083 0.000 0.959 288 D HN 0.372 nan 8.370 nan 0.000 0.452 289 M N 0.373 120.092 119.600 0.198 0.000 2.086 289 M HA -0.114 4.366 4.480 0.000 0.000 0.261 289 M C 2.116 178.363 176.300 -0.088 0.000 1.067 289 M CA 2.116 57.478 55.300 0.104 0.000 1.116 289 M CB -0.366 32.275 32.600 0.068 0.000 1.348 289 M HN 0.056 nan 8.290 nan 0.000 0.407 290 G N -0.530 108.290 108.800 0.034 0.000 2.476 290 G HA2 -0.328 3.632 3.960 0.000 0.000 0.218 290 G HA3 -0.328 3.632 3.960 0.000 0.000 0.218 290 G C 1.430 176.344 174.900 0.023 0.000 1.164 290 G CA 1.815 46.967 45.100 0.088 0.000 0.768 290 G HN 0.609 nan 8.290 nan 0.000 0.560 291 T N -1.949 112.625 114.554 0.034 0.000 2.915 291 T HA 0.013 4.363 4.350 0.000 0.000 0.269 291 T C 2.242 176.928 174.700 -0.023 0.000 1.071 291 T CA 1.544 63.660 62.100 0.026 0.000 1.132 291 T CB -0.122 68.779 68.868 0.056 0.000 0.878 291 T HN 0.203 nan 8.240 nan 0.000 0.479 292 M N 0.034 119.583 119.600 -0.084 0.000 2.134 292 M HA -0.012 4.468 4.480 0.000 0.000 0.262 292 M C 2.525 178.671 176.300 -0.256 0.000 1.076 292 M CA 1.295 56.461 55.300 -0.224 0.000 1.143 292 M CB -0.280 32.025 32.600 -0.492 0.000 1.346 292 M HN 0.197 nan 8.290 nan 0.000 0.421 293 Q N 0.504 120.116 119.800 -0.313 0.000 2.135 293 Q HA -0.170 4.171 4.340 0.000 0.000 0.204 293 Q C 1.665 177.580 176.000 -0.141 0.000 0.981 293 Q CA 1.295 56.903 55.803 -0.326 0.000 0.856 293 Q CB -0.477 27.848 28.738 -0.689 0.000 0.902 293 Q HN 0.557 nan 8.270 nan 0.000 0.425 294 E N 0.334 120.498 120.200 -0.061 0.000 2.409 294 E HA -0.110 4.240 4.350 0.000 0.000 0.198 294 E C 1.760 178.349 176.600 -0.017 0.000 1.024 294 E CA 0.406 56.812 56.400 0.010 0.000 0.861 294 E CB 0.027 29.759 29.700 0.052 0.000 0.788 294 E HN 0.336 nan 8.360 nan 0.000 0.521 295 R N 0.018 120.486 120.500 -0.054 0.000 2.173 295 R HA 0.167 4.507 4.340 0.000 0.000 0.208 295 R C 0.994 177.252 176.300 -0.069 0.000 1.035 295 R CA 0.197 56.264 56.100 -0.055 0.000 1.004 295 R CB 0.207 30.467 30.300 -0.067 0.000 0.917 295 R HN 0.047 nan 8.270 nan 0.000 0.462 296 I N 1.876 122.388 120.570 -0.097 0.000 2.293 296 I HA 0.047 4.217 4.170 0.000 0.000 0.299 296 I C -0.087 175.983 176.117 -0.078 0.000 1.153 296 I CA 0.373 61.609 61.300 -0.106 0.000 1.302 296 I CB 0.557 38.466 38.000 -0.152 0.000 1.460 296 I HN -0.040 nan 8.210 nan 0.000 0.552 297 T N 2.969 117.485 114.554 -0.062 0.000 2.977 297 T HA 0.185 4.536 4.350 0.000 0.000 0.345 297 T C -0.372 174.303 174.700 -0.041 0.000 1.562 297 T CA -0.462 61.611 62.100 -0.046 0.000 1.090 297 T CB 1.357 70.209 68.868 -0.026 0.000 1.383 297 T HN 0.340 nan 8.240 nan 0.000 0.484 298 T N 3.631 118.161 114.554 -0.040 0.000 2.919 298 T HA 0.558 4.908 4.350 0.000 0.000 0.302 298 T C 0.566 175.246 174.700 -0.033 0.000 1.031 298 T CA 0.043 62.123 62.100 -0.034 0.000 1.127 298 T CB 0.619 69.467 68.868 -0.033 0.000 0.952 298 T HN 0.885 nan 8.240 nan 0.000 0.540 299 T N -0.301 114.233 114.554 -0.032 0.000 2.831 299 T HA 0.469 4.819 4.350 0.000 0.000 0.287 299 T C 0.953 175.630 174.700 -0.038 0.000 1.070 299 T CA -1.082 60.995 62.100 -0.038 0.000 1.010 299 T CB 1.412 70.260 68.868 -0.032 0.000 1.264 299 T HN 0.369 nan 8.240 nan 0.000 0.532 300 K N 0.012 120.385 120.400 -0.045 0.000 2.360 300 K HA -0.000 4.320 4.320 0.000 0.000 0.201 300 K C 2.011 178.592 176.600 -0.031 0.000 1.046 300 K CA 1.005 57.268 56.287 -0.041 0.000 0.945 300 K CB -0.062 32.410 32.500 -0.046 0.000 0.750 300 K HN 0.460 nan 8.250 nan 0.000 0.464 301 K N -0.419 119.963 120.400 -0.029 0.000 2.243 301 K HA 0.024 4.344 4.320 0.000 0.000 0.201 301 K C 0.742 177.329 176.600 -0.022 0.000 1.051 301 K CA 0.631 56.902 56.287 -0.027 0.000 0.970 301 K CB 0.604 33.086 32.500 -0.030 0.000 0.755 301 K HN 0.192 nan 8.250 nan 0.000 0.465 302 G N -0.178 108.611 108.800 -0.018 0.000 2.368 302 G HA2 0.146 4.106 3.960 0.000 0.000 0.293 302 G HA3 0.146 4.106 3.960 0.000 0.000 0.293 302 G C -1.752 173.144 174.900 -0.007 0.000 1.467 302 G CA -0.670 44.425 45.100 -0.008 0.000 0.804 302 G HN -0.083 nan 8.290 nan 0.000 0.535 303 S N -0.473 115.228 115.700 0.001 0.000 2.437 303 S HA 0.757 5.227 4.470 0.000 0.000 0.305 303 S C -0.312 174.285 174.600 -0.004 0.000 1.109 303 S CA -0.697 57.500 58.200 -0.005 0.000 1.099 303 S CB 0.478 63.677 63.200 -0.001 0.000 1.004 303 S HN 0.529 nan 8.310 nan 0.000 0.475 304 I N 4.271 124.822 120.570 -0.031 0.000 2.382 304 I HA 0.250 4.420 4.170 0.000 0.000 0.286 304 I C -0.137 175.915 176.117 -0.108 0.000 1.002 304 I CA -0.537 60.726 61.300 -0.062 0.000 1.135 304 I CB 2.130 40.092 38.000 -0.063 0.000 1.288 304 I HN 0.513 nan 8.210 nan 0.000 0.448 305 T N 4.539 118.998 114.554 -0.158 0.000 2.729 305 T HA 0.246 4.596 4.350 0.000 0.000 0.296 305 T C 0.196 174.700 174.700 -0.326 0.000 0.928 305 T CA -0.512 61.461 62.100 -0.212 0.000 1.045 305 T CB 0.412 69.154 68.868 -0.209 0.000 0.902 305 T HN 0.670 nan 8.240 nan 0.000 0.500 306 S N 2.361 117.885 115.700 -0.293 0.000 2.451 306 S HA 0.681 5.152 4.470 0.000 0.000 0.301 306 S C -0.461 173.923 174.600 -0.361 0.000 1.116 306 S CA -0.831 57.165 58.200 -0.340 0.000 1.093 306 S CB 1.248 64.302 63.200 -0.243 0.000 1.017 306 S HN 0.383 nan 8.310 nan 0.000 0.482 307 V N 3.645 123.310 119.914 -0.415 0.000 2.407 307 V HA 0.443 4.563 4.120 0.000 0.000 0.291 307 V C -0.509 175.478 176.094 -0.178 0.000 1.018 307 V CA -0.514 61.621 62.300 -0.275 0.000 0.842 307 V CB 1.120 32.860 31.823 -0.138 0.000 0.996 307 V HN 0.956 nan 8.190 nan 0.000 0.426 308 Q N 3.142 122.832 119.800 -0.183 0.000 2.333 308 Q HA 0.711 5.051 4.340 0.000 0.000 0.268 308 Q C -0.182 175.723 176.000 -0.159 0.000 1.007 308 Q CA -0.558 55.137 55.803 -0.179 0.000 0.810 308 Q CB 2.533 31.138 28.738 -0.222 0.000 1.264 308 Q HN 0.880 nan 8.270 nan 0.000 0.452 309 A N 3.770 126.536 122.820 -0.090 0.000 2.409 309 A HA 0.468 4.788 4.320 0.000 0.000 0.262 309 A C -0.327 177.203 177.584 -0.091 0.000 1.113 309 A CA -0.090 51.916 52.037 -0.052 0.000 0.790 309 A CB -0.034 18.988 19.000 0.038 0.000 1.046 309 A HN 0.749 nan 8.150 nan 0.000 0.496 310 I N 3.223 123.696 120.570 -0.162 0.000 2.448 310 I HA 0.143 4.314 4.170 0.000 0.000 0.281 310 I C -0.705 175.400 176.117 -0.020 0.000 1.027 310 I CA -0.542 60.641 61.300 -0.195 0.000 1.111 310 I CB 1.081 38.659 38.000 -0.702 0.000 1.236 310 I HN 0.701 nan 8.210 nan 0.000 0.452 311 Y N 7.188 127.463 120.300 -0.042 0.000 2.526 311 Y HA 0.252 4.802 4.550 0.000 0.000 0.330 311 Y C -0.262 175.490 175.900 -0.246 0.000 1.156 311 Y CA -0.177 57.837 58.100 -0.145 0.000 1.419 311 Y CB 0.790 39.119 38.460 -0.218 0.000 1.250 311 Y HN 0.277 nan 8.280 nan 0.000 0.540 312 V N 9.952 129.532 119.914 -0.557 0.000 2.275 312 V HA 0.265 4.386 4.120 0.000 0.000 0.272 312 V C -2.234 173.332 176.094 -0.880 0.000 1.028 312 V CA -2.095 59.909 62.300 -0.493 0.000 0.810 312 V CB 0.809 32.586 31.823 -0.077 0.000 1.043 312 V HN 0.727 nan 8.190 nan 0.000 0.453 313 P HA 0.094 nan 4.420 nan 0.000 0.261 313 P C 0.692 177.807 177.300 -0.309 0.000 1.183 313 P CA 0.807 63.419 63.100 -0.813 0.000 0.761 313 P CB 0.640 32.080 31.700 -0.433 0.000 0.785 314 A N 4.267 126.998 122.820 -0.148 0.000 2.798 314 A HA -0.258 4.062 4.320 0.000 0.000 0.282 314 A C 0.913 178.477 177.584 -0.034 0.000 1.464 314 A CA 1.233 53.251 52.037 -0.032 0.000 0.844 314 A CB -2.453 16.543 19.000 -0.008 0.000 1.006 314 A HN 0.668 nan 8.150 nan 0.000 0.577 315 D N -2.065 118.298 120.400 -0.061 0.000 3.059 315 D HA -0.189 4.451 4.640 0.000 0.000 0.220 315 D C -0.192 176.098 176.300 -0.017 0.000 1.169 315 D CA 1.940 55.927 54.000 -0.021 0.000 0.902 315 D CB -1.429 39.380 40.800 0.015 0.000 1.116 315 D HN 0.962 nan 8.370 nan 0.000 0.417 316 D N 0.421 120.798 120.400 -0.038 0.000 2.411 316 D HA 0.246 4.886 4.640 0.000 0.000 0.225 316 D C 1.414 177.723 176.300 0.015 0.000 1.156 316 D CA -0.362 53.634 54.000 -0.007 0.000 0.874 316 D CB 0.238 41.037 40.800 -0.002 0.000 1.034 316 D HN 0.117 nan 8.370 nan 0.000 0.502 317 L N 2.598 123.843 121.223 0.037 0.000 2.456 317 L HA -0.067 4.274 4.340 0.000 0.000 0.224 317 L C 2.223 179.154 176.870 0.102 0.000 1.148 317 L CA 1.241 56.135 54.840 0.089 0.000 0.825 317 L CB -0.267 41.833 42.059 0.067 0.000 0.937 317 L HN 0.494 nan 8.230 nan 0.000 0.450 318 T N -4.830 109.757 114.554 0.054 0.000 3.107 318 T HA -0.025 4.325 4.350 0.000 0.000 0.249 318 T C 0.541 175.287 174.700 0.076 0.000 1.096 318 T CA -0.416 61.715 62.100 0.051 0.000 1.012 318 T CB -0.401 68.480 68.868 0.021 0.000 0.977 318 T HN 0.172 nan 8.240 nan 0.000 0.527 319 D N 2.417 122.869 120.400 0.087 0.000 2.488 319 D HA 0.125 4.765 4.640 0.000 0.000 0.238 319 D C -1.393 174.976 176.300 0.115 0.000 1.138 319 D CA -1.584 52.489 54.000 0.122 0.000 0.873 319 D CB 1.177 42.048 40.800 0.119 0.000 1.183 319 D HN -0.014 nan 8.370 nan 0.000 0.458 320 P HA -0.205 nan 4.420 nan 0.000 0.217 320 P C 0.647 177.887 177.300 -0.099 0.000 1.148 320 P CA 1.618 64.710 63.100 -0.015 0.000 0.828 320 P CB 0.083 31.746 31.700 -0.061 0.000 0.783 321 A N 0.455 123.170 122.820 -0.175 0.000 1.835 321 A HA -0.114 4.206 4.320 0.000 0.000 0.215 321 A C -0.026 177.629 177.584 0.117 0.000 1.199 321 A CA 2.171 54.169 52.037 -0.063 0.000 0.615 321 A CB -2.249 16.836 19.000 0.142 0.000 0.838 321 A HN 0.217 nan 8.150 nan 0.000 0.444 322 P HA -0.047 nan 4.420 nan 0.000 0.221 322 P C 1.508 179.013 177.300 0.341 0.000 1.150 322 P CA 1.729 64.990 63.100 0.268 0.000 0.800 322 P CB -0.137 31.743 31.700 0.300 0.000 0.787 323 A N 0.309 123.307 122.820 0.297 0.000 1.908 323 A HA -0.143 4.177 4.320 0.000 0.000 0.218 323 A C 2.257 180.031 177.584 0.317 0.000 1.181 323 A CA 2.423 54.663 52.037 0.340 0.000 0.627 323 A CB -1.903 17.199 19.000 0.170 0.000 0.818 323 A HN 0.212 nan 8.150 nan 0.000 0.445 324 T N -0.391 114.287 114.554 0.206 0.000 2.995 324 T HA -0.053 4.297 4.350 0.000 0.000 0.269 324 T C 1.816 176.674 174.700 0.263 0.000 1.091 324 T CA 1.583 63.792 62.100 0.183 0.000 1.128 324 T CB -0.360 68.575 68.868 0.112 0.000 0.891 324 T HN 0.553 nan 8.240 nan 0.000 0.492 325 T N 1.681 116.389 114.554 0.256 0.000 2.915 325 T HA 0.033 4.383 4.350 0.000 0.000 0.269 325 T C 1.471 176.340 174.700 0.282 0.000 1.071 325 T CA 0.721 62.965 62.100 0.239 0.000 1.132 325 T CB -0.489 68.415 68.868 0.060 0.000 0.878 325 T HN 0.354 nan 8.240 nan 0.000 0.479 326 F N 1.769 121.899 119.950 0.300 0.000 2.202 326 F HA -0.029 4.498 4.527 0.000 0.000 0.301 326 F C 2.598 178.461 175.800 0.104 0.000 1.082 326 F CA 0.818 58.950 58.000 0.220 0.000 1.313 326 F CB -0.380 38.648 39.000 0.048 0.000 1.024 326 F HN 0.141 nan 8.300 nan 0.000 0.495 327 A N -1.544 121.390 122.820 0.191 0.000 2.172 327 A HA -0.141 4.179 4.320 0.000 0.000 0.216 327 A C 1.455 178.957 177.584 -0.137 0.000 1.154 327 A CA 1.076 53.100 52.037 -0.022 0.000 0.701 327 A CB -0.828 18.083 19.000 -0.148 0.000 0.789 327 A HN 0.432 nan 8.150 nan 0.000 0.465 328 H N -1.148 117.977 119.070 0.092 0.000 2.529 328 H HA 0.394 4.950 4.556 0.000 0.000 0.277 328 H C -0.443 174.899 175.328 0.023 0.000 1.004 328 H CA 0.231 56.302 56.048 0.038 0.000 1.167 328 H CB 0.057 29.820 29.762 0.003 0.000 1.445 328 H HN 0.326 nan 8.280 nan 0.000 0.554 329 L N 0.029 121.333 121.223 0.135 0.000 2.370 329 L HA 0.244 4.584 4.340 0.000 0.000 0.266 329 L C 0.586 177.508 176.870 0.087 0.000 1.002 329 L CA -0.654 54.244 54.840 0.097 0.000 0.818 329 L CB 2.372 44.507 42.059 0.127 0.000 1.325 329 L HN -0.141 nan 8.230 nan 0.000 0.418 330 D N 0.888 121.320 120.400 0.053 0.000 2.338 330 D HA 0.200 4.840 4.640 0.000 0.000 0.208 330 D C 0.273 176.624 176.300 0.084 0.000 0.997 330 D CA 0.588 54.622 54.000 0.057 0.000 0.880 330 D CB 0.989 41.807 40.800 0.030 0.000 0.980 330 D HN 0.499 nan 8.370 nan 0.000 0.509 331 A N 0.543 123.413 122.820 0.083 0.000 2.422 331 A HA 0.584 4.904 4.320 0.000 0.000 0.302 331 A C -0.498 177.186 177.584 0.166 0.000 1.041 331 A CA -0.612 51.513 52.037 0.146 0.000 0.708 331 A CB 1.557 20.686 19.000 0.214 0.000 1.257 331 A HN -0.019 nan 8.150 nan 0.000 0.414 332 T N -0.613 114.090 114.554 0.249 0.000 2.812 332 T HA 0.668 5.018 4.350 0.000 0.000 0.282 332 T C -0.495 174.402 174.700 0.329 0.000 0.990 332 T CA -0.482 61.816 62.100 0.329 0.000 0.960 332 T CB 1.219 70.330 68.868 0.405 0.000 0.948 332 T HN 0.481 nan 8.240 nan 0.000 0.438 333 T N 3.249 118.016 114.554 0.355 0.000 2.801 333 T HA 0.449 4.799 4.350 0.000 0.000 0.306 333 T C -0.010 174.889 174.700 0.332 0.000 1.020 333 T CA -0.562 61.733 62.100 0.325 0.000 0.948 333 T CB 0.681 69.763 68.868 0.357 0.000 0.962 333 T HN 0.626 nan 8.240 nan 0.000 0.465 334 V N 5.573 125.646 119.914 0.264 0.000 2.348 334 V HA 0.286 4.406 4.120 0.000 0.000 0.270 334 V C -0.107 176.100 176.094 0.187 0.000 1.037 334 V CA -0.850 61.594 62.300 0.239 0.000 0.872 334 V CB 0.616 32.529 31.823 0.151 0.000 1.002 334 V HN 0.610 nan 8.190 nan 0.000 0.464 335 L N 4.381 125.726 121.223 0.203 0.000 2.375 335 L HA 0.585 4.925 4.340 0.000 0.000 0.271 335 L C 0.425 177.369 176.870 0.124 0.000 1.107 335 L CA 0.590 55.526 54.840 0.160 0.000 0.806 335 L CB 1.553 43.720 42.059 0.179 0.000 1.146 335 L HN 0.740 nan 8.230 nan 0.000 0.447 336 S N 2.413 118.165 115.700 0.087 0.000 2.571 336 S HA 0.442 4.912 4.470 0.000 0.000 0.284 336 S C 0.808 175.430 174.600 0.038 0.000 1.128 336 S CA -0.730 57.505 58.200 0.058 0.000 0.970 336 S CB 1.214 64.439 63.200 0.041 0.000 1.039 336 S HN 0.687 nan 8.310 nan 0.000 0.485 337 R N 3.094 123.617 120.500 0.039 0.000 2.081 337 R HA -0.043 4.297 4.340 0.000 0.000 0.235 337 R C 2.230 178.531 176.300 0.001 0.000 1.131 337 R CA 1.812 57.928 56.100 0.028 0.000 0.960 337 R CB -0.700 29.622 30.300 0.035 0.000 0.856 337 R HN 0.825 nan 8.270 nan 0.000 0.436 338 A N 0.975 123.795 122.820 -0.000 0.000 1.908 338 A HA -0.180 4.140 4.320 0.000 0.000 0.218 338 A C 2.116 179.684 177.584 -0.026 0.000 1.181 338 A CA 1.527 53.557 52.037 -0.011 0.000 0.627 338 A CB -0.509 18.486 19.000 -0.007 0.000 0.818 338 A HN 0.357 nan 8.150 nan 0.000 0.445 339 I N -0.496 120.057 120.570 -0.028 0.000 2.252 339 I HA -0.238 3.932 4.170 0.000 0.000 0.245 339 I C 2.958 178.992 176.117 -0.139 0.000 1.102 339 I CA 0.946 62.216 61.300 -0.051 0.000 1.385 339 I CB -0.318 37.668 38.000 -0.023 0.000 1.064 339 I HN 0.356 nan 8.210 nan 0.000 0.414 340 A N 0.421 123.140 122.820 -0.169 0.000 1.933 340 A HA -0.223 4.097 4.320 0.000 0.000 0.218 340 A C 2.163 179.602 177.584 -0.242 0.000 1.175 340 A CA 1.632 53.462 52.037 -0.344 0.000 0.628 340 A CB -0.567 18.343 19.000 -0.149 0.000 0.814 340 A HN 0.450 nan 8.150 nan 0.000 0.444 341 E N -0.394 119.745 120.200 -0.102 0.000 2.338 341 E HA -0.030 4.320 4.350 0.000 0.000 0.197 341 E C 1.447 178.013 176.600 -0.057 0.000 1.007 341 E CA 0.428 56.796 56.400 -0.053 0.000 0.849 341 E CB -0.177 29.510 29.700 -0.022 0.000 0.774 341 E HN 0.619 nan 8.360 nan 0.000 0.506 342 L N -0.473 120.704 121.223 -0.075 0.000 2.554 342 L HA 0.071 4.411 4.340 0.000 0.000 0.226 342 L C 1.377 178.203 176.870 -0.074 0.000 1.137 342 L CA 0.474 55.277 54.840 -0.061 0.000 0.863 342 L CB 0.032 42.068 42.059 -0.038 0.000 0.985 342 L HN 0.291 nan 8.230 nan 0.000 0.451 343 G N 0.274 109.006 108.800 -0.113 0.000 2.141 343 G HA2 -0.220 3.740 3.960 0.000 0.000 0.242 343 G HA3 -0.220 3.740 3.960 0.000 0.000 0.242 343 G C 0.121 175.017 174.900 -0.007 0.000 0.982 343 G CA -0.487 44.583 45.100 -0.050 0.000 0.662 343 G HN 0.116 nan 8.290 nan 0.000 0.527 344 I N 1.150 121.622 120.570 -0.163 0.000 2.312 344 I HA 0.467 4.637 4.170 0.000 0.000 0.291 344 I C 0.021 175.921 176.117 -0.362 0.000 1.031 344 I CA -1.106 60.145 61.300 -0.082 0.000 1.293 344 I CB -0.142 37.849 38.000 -0.016 0.000 1.403 344 I HN 0.119 nan 8.210 nan 0.000 0.484 345 Y N 7.169 127.450 120.300 -0.033 0.000 2.425 345 Y HA 0.412 4.963 4.550 0.000 0.000 0.344 345 Y C -2.027 173.691 175.900 -0.303 0.000 0.969 345 Y CA -2.388 55.620 58.100 -0.154 0.000 1.052 345 Y CB 2.203 40.556 38.460 -0.178 0.000 1.215 345 Y HN 0.416 nan 8.280 nan 0.000 0.451 346 P HA 0.071 nan 4.420 nan 0.000 0.271 346 P C -0.444 176.892 177.300 0.059 0.000 1.218 346 P CA -0.192 62.904 63.100 -0.006 0.000 0.780 346 P CB 1.163 32.899 31.700 0.059 0.000 0.901 347 A N 3.420 126.302 122.820 0.103 0.000 2.728 347 A HA 0.209 4.529 4.320 0.000 0.000 0.258 347 A C 0.513 178.135 177.584 0.064 0.000 1.454 347 A CA -0.287 51.757 52.037 0.011 0.000 1.146 347 A CB -1.177 17.810 19.000 -0.022 0.000 0.985 347 A HN 0.374 nan 8.150 nan 0.000 0.603 348 V N 1.131 121.095 119.914 0.082 0.000 2.572 348 V HA 0.033 4.154 4.120 0.000 0.000 0.291 348 V C 0.394 176.530 176.094 0.070 0.000 1.039 348 V CA -0.411 61.949 62.300 0.100 0.000 1.055 348 V CB 1.055 32.944 31.823 0.111 0.000 0.969 348 V HN 0.567 nan 8.190 nan 0.000 0.482 349 D N 7.783 128.228 120.400 0.075 0.000 2.338 349 D HA 0.174 4.814 4.640 0.000 0.000 0.255 349 D C -1.282 175.045 176.300 0.044 0.000 1.237 349 D CA -1.993 52.039 54.000 0.053 0.000 0.883 349 D CB 1.772 42.602 40.800 0.049 0.000 1.087 349 D HN 0.276 nan 8.370 nan 0.000 0.485 350 P HA -0.039 nan 4.420 nan 0.000 0.226 350 P C 0.993 178.294 177.300 0.002 0.000 1.153 350 P CA 0.547 63.653 63.100 0.010 0.000 0.777 350 P CB 0.406 32.106 31.700 0.000 0.000 0.794 351 L N -0.835 120.393 121.223 0.008 0.000 2.872 351 L HA 0.298 4.638 4.340 0.000 0.000 0.245 351 L C 0.842 177.707 176.870 -0.010 0.000 1.211 351 L CA 0.310 55.148 54.840 -0.004 0.000 1.013 351 L CB 0.008 42.066 42.059 -0.002 0.000 1.326 351 L HN -0.152 nan 8.230 nan 0.000 0.525 352 D N -1.224 119.178 120.400 0.004 0.000 2.530 352 D HA 0.079 4.719 4.640 0.000 0.000 0.290 352 D C -0.136 176.184 176.300 0.034 0.000 1.398 352 D CA 0.187 54.184 54.000 -0.006 0.000 0.848 352 D CB 0.838 41.631 40.800 -0.012 0.000 1.279 352 D HN -0.102 nan 8.370 nan 0.000 0.483 353 S N 0.032 115.767 115.700 0.058 0.000 2.451 353 S HA 0.701 5.171 4.470 0.000 0.000 0.301 353 S C 0.002 174.656 174.600 0.091 0.000 1.116 353 S CA -0.567 57.698 58.200 0.107 0.000 1.093 353 S CB 1.799 65.072 63.200 0.122 0.000 1.017 353 S HN 0.282 nan 8.310 nan 0.000 0.482 354 T N -0.874 113.754 114.554 0.123 0.000 2.887 354 T HA 0.826 5.176 4.350 0.000 0.000 0.292 354 T C -0.718 174.060 174.700 0.131 0.000 1.087 354 T CA -0.865 61.296 62.100 0.101 0.000 1.009 354 T CB 1.891 70.804 68.868 0.074 0.000 1.203 354 T HN 0.446 nan 8.240 nan 0.000 0.518 355 S N -0.877 114.886 115.700 0.104 0.000 2.566 355 S HA 0.371 4.841 4.470 0.000 0.000 0.273 355 S C 0.671 175.320 174.600 0.081 0.000 1.157 355 S CA -0.816 57.451 58.200 0.111 0.000 0.938 355 S CB 1.505 64.776 63.200 0.119 0.000 1.087 355 S HN 0.782 nan 8.310 nan 0.000 0.474 356 R N 2.207 122.751 120.500 0.074 0.000 2.193 356 R HA -0.039 4.301 4.340 0.000 0.000 0.229 356 R C 1.666 177.990 176.300 0.041 0.000 1.110 356 R CA 1.920 58.052 56.100 0.053 0.000 0.988 356 R CB -0.563 29.764 30.300 0.046 0.000 0.871 356 R HN 0.813 nan 8.270 nan 0.000 0.458 357 I N -2.899 117.697 120.570 0.043 0.000 3.793 357 I HA 0.136 4.306 4.170 0.000 0.000 0.315 357 I C 0.703 176.825 176.117 0.008 0.000 1.275 357 I CA -0.206 61.107 61.300 0.022 0.000 1.214 357 I CB 0.078 38.092 38.000 0.023 0.000 1.018 357 I HN -0.095 nan 8.210 nan 0.000 0.439 358 M N 3.331 122.953 119.600 0.037 0.000 2.869 358 M HA 0.270 4.750 4.480 0.000 0.000 0.299 358 M C -0.948 175.454 176.300 0.169 0.000 1.508 358 M CA 0.015 55.359 55.300 0.074 0.000 1.551 358 M CB -1.352 31.291 32.600 0.072 0.000 1.384 358 M HN 0.319 nan 8.290 nan 0.000 0.491 359 D N 5.277 125.728 120.400 0.086 0.000 2.931 359 D HA 0.321 4.961 4.640 0.000 0.000 0.215 359 D C -2.583 173.598 176.300 -0.199 0.000 1.297 359 D CA -1.152 52.786 54.000 -0.104 0.000 0.892 359 D CB 2.194 42.953 40.800 -0.069 0.000 1.642 359 D HN 0.178 nan 8.370 nan 0.000 0.560 360 P HA -0.057 nan 4.420 nan 0.000 0.222 360 P C 0.671 177.889 177.300 -0.137 0.000 1.147 360 P CA 0.610 63.540 63.100 -0.285 0.000 0.790 360 P CB 0.457 31.901 31.700 -0.426 0.000 0.780 361 N N -0.512 118.105 118.700 -0.138 0.000 2.494 361 N HA 0.044 4.784 4.740 0.000 0.000 0.182 361 N C 1.715 177.196 175.510 -0.048 0.000 1.076 361 N CA 0.717 53.721 53.050 -0.077 0.000 0.908 361 N CB 0.034 38.478 38.487 -0.072 0.000 0.967 361 N HN 0.336 nan 8.380 nan 0.000 0.449 362 I N -0.428 120.111 120.570 -0.051 0.000 3.136 362 I HA -0.040 4.130 4.170 0.000 0.000 0.262 362 I C 1.844 177.950 176.117 -0.019 0.000 1.132 362 I CA 0.356 61.639 61.300 -0.029 0.000 1.450 362 I CB 0.008 37.992 38.000 -0.026 0.000 1.315 362 I HN -0.135 nan 8.210 nan 0.000 0.460 363 V N -0.922 118.965 119.914 -0.045 0.000 3.506 363 V HA 0.548 4.668 4.120 0.000 0.000 0.263 363 V C 0.880 177.006 176.094 0.053 0.000 1.203 363 V CA 0.187 62.461 62.300 -0.045 0.000 1.133 363 V CB -0.978 30.633 31.823 -0.353 0.000 0.802 363 V HN 0.525 nan 8.190 nan 0.000 0.459 364 G N 0.946 109.768 108.800 0.037 0.000 2.675 364 G HA2 -0.098 3.862 3.960 0.000 0.000 0.686 364 G HA3 -0.098 3.862 3.960 0.000 0.000 0.686 364 G C 0.396 175.359 174.900 0.105 0.000 1.215 364 G CA 0.241 45.381 45.100 0.067 0.000 0.777 364 G HN 1.210 nan 8.290 nan 0.000 0.638 365 S N -0.291 115.459 115.700 0.084 0.000 2.402 365 S HA -0.101 4.369 4.470 0.000 0.000 0.229 365 S C 1.804 176.508 174.600 0.173 0.000 1.021 365 S CA 1.883 60.152 58.200 0.115 0.000 0.974 365 S CB -0.093 63.147 63.200 0.067 0.000 0.800 365 S HN 1.000 nan 8.310 nan 0.000 0.484 366 E N 1.121 121.411 120.200 0.149 0.000 2.028 366 E HA -0.260 4.091 4.350 0.000 0.000 0.191 366 E C 2.061 178.777 176.600 0.194 0.000 0.988 366 E CA 1.224 57.711 56.400 0.144 0.000 0.799 366 E CB -0.461 29.305 29.700 0.110 0.000 0.755 366 E HN 0.838 nan 8.360 nan 0.000 0.447 367 H N -1.446 117.684 119.070 0.099 0.000 2.289 367 H HA -0.247 4.309 4.556 0.000 0.000 0.296 367 H C 2.144 177.531 175.328 0.097 0.000 1.091 367 H CA 1.892 57.994 56.048 0.091 0.000 1.274 367 H CB -0.200 29.615 29.762 0.089 0.000 1.364 367 H HN 0.312 nan 8.280 nan 0.000 0.490 368 Y N 1.496 121.889 120.300 0.155 0.000 2.181 368 Y HA -0.239 4.311 4.550 0.000 0.000 0.288 368 Y C 2.008 177.949 175.900 0.068 0.000 1.146 368 Y CA 1.936 60.069 58.100 0.055 0.000 1.164 368 Y CB -0.242 38.219 38.460 0.001 0.000 0.982 368 Y HN 0.349 nan 8.280 nan 0.000 0.515 369 D N -0.691 119.817 120.400 0.181 0.000 2.144 369 D HA -0.163 4.477 4.640 0.000 0.000 0.200 369 D C 2.365 178.672 176.300 0.012 0.000 0.978 369 D CA 1.511 55.561 54.000 0.084 0.000 0.833 369 D CB -0.406 40.471 40.800 0.128 0.000 0.961 369 D HN 0.318 nan 8.370 nan 0.000 0.470 370 V N 1.275 121.218 119.914 0.048 0.000 2.379 370 V HA -0.173 3.947 4.120 0.000 0.000 0.245 370 V C 2.509 178.587 176.094 -0.025 0.000 1.044 370 V CA 1.602 63.925 62.300 0.039 0.000 1.036 370 V CB -0.727 31.144 31.823 0.080 0.000 0.664 370 V HN 0.169 nan 8.190 nan 0.000 0.453 371 A N 0.050 122.844 122.820 -0.043 0.000 1.883 371 A HA -0.202 4.118 4.320 0.000 0.000 0.217 371 A C 2.335 179.812 177.584 -0.179 0.000 1.186 371 A CA 1.545 53.513 52.037 -0.114 0.000 0.624 371 A CB -0.427 18.526 19.000 -0.080 0.000 0.822 371 A HN 0.401 nan 8.150 nan 0.000 0.444 372 R N -0.698 119.641 120.500 -0.267 0.000 2.148 372 R HA -0.043 4.297 4.340 0.000 0.000 0.223 372 R C 2.278 178.507 176.300 -0.119 0.000 1.088 372 R CA 1.048 56.998 56.100 -0.249 0.000 0.985 372 R CB -1.045 29.023 30.300 -0.387 0.000 0.880 372 R HN 0.543 nan 8.270 nan 0.000 0.451 373 G N 0.436 109.189 108.800 -0.079 0.000 2.394 373 G HA2 -0.164 3.796 3.960 0.000 0.000 0.215 373 G HA3 -0.164 3.796 3.960 0.000 0.000 0.215 373 G C 1.549 176.436 174.900 -0.021 0.000 1.165 373 G CA 0.405 45.488 45.100 -0.029 0.000 0.784 373 G HN 0.107 nan 8.290 nan 0.000 0.535 374 V N 0.689 120.582 119.914 -0.034 0.000 2.287 374 V HA -0.274 3.846 4.120 0.000 0.000 0.248 374 V C 2.947 179.019 176.094 -0.036 0.000 1.053 374 V CA 2.370 64.650 62.300 -0.033 0.000 1.027 374 V CB -0.610 31.144 31.823 -0.114 0.000 0.646 374 V HN 0.437 nan 8.190 nan 0.000 0.447 375 Q N -0.579 119.185 119.800 -0.060 0.000 2.124 375 Q HA -0.240 4.100 4.340 0.000 0.000 0.202 375 Q C 2.396 178.385 176.000 -0.018 0.000 0.977 375 Q CA 1.575 57.352 55.803 -0.042 0.000 0.850 375 Q CB -0.221 28.478 28.738 -0.064 0.000 0.901 375 Q HN 0.545 nan 8.270 nan 0.000 0.429 376 K N 1.003 121.390 120.400 -0.022 0.000 2.026 376 K HA -0.146 4.174 4.320 0.000 0.000 0.208 376 K C 2.040 178.649 176.600 0.016 0.000 1.048 376 K CA 1.009 57.294 56.287 -0.004 0.000 0.929 376 K CB -0.168 32.328 32.500 -0.008 0.000 0.713 376 K HN 0.200 nan 8.250 nan 0.000 0.439 377 I N 1.218 121.797 120.570 0.015 0.000 2.208 377 I HA -0.301 3.869 4.170 0.000 0.000 0.245 377 I C 1.954 178.110 176.117 0.065 0.000 1.097 377 I CA 1.140 62.456 61.300 0.026 0.000 1.363 377 I CB 0.071 38.072 38.000 0.001 0.000 1.051 377 I HN 0.227 nan 8.210 nan 0.000 0.413 378 L N -0.062 121.200 121.223 0.065 0.000 2.093 378 L HA -0.219 4.121 4.340 0.000 0.000 0.208 378 L C 2.553 179.506 176.870 0.139 0.000 1.085 378 L CA 0.973 55.892 54.840 0.132 0.000 0.755 378 L CB -0.606 41.507 42.059 0.090 0.000 0.904 378 L HN 0.299 nan 8.230 nan 0.000 0.435 379 Q N 0.456 120.298 119.800 0.070 0.000 2.046 379 Q HA -0.208 4.132 4.340 0.000 0.000 0.200 379 Q C 1.731 177.760 176.000 0.049 0.000 0.975 379 Q CA 1.802 57.631 55.803 0.042 0.000 0.836 379 Q CB -0.109 28.639 28.738 0.016 0.000 0.896 379 Q HN 0.359 nan 8.270 nan 0.000 0.428 380 D N -0.931 119.508 120.400 0.064 0.000 2.144 380 D HA -0.170 4.470 4.640 0.000 0.000 0.199 380 D C 1.533 177.898 176.300 0.108 0.000 0.984 380 D CA 1.003 55.042 54.000 0.065 0.000 0.834 380 D CB -0.454 40.381 40.800 0.058 0.000 0.955 380 D HN 0.323 nan 8.370 nan 0.000 0.465 381 Y N 2.103 122.399 120.300 -0.007 0.000 2.151 381 Y HA -0.234 4.316 4.550 0.000 0.000 0.284 381 Y C 1.943 177.838 175.900 -0.007 0.000 1.166 381 Y CA 1.440 59.536 58.100 -0.007 0.000 1.163 381 Y CB -0.150 38.306 38.460 -0.005 0.000 0.974 381 Y HN -0.122 nan 8.280 nan 0.000 0.511 382 K N -0.462 119.878 120.400 -0.099 0.000 2.063 382 K HA -0.159 4.161 4.320 0.000 0.000 0.208 382 K C 2.172 178.695 176.600 -0.128 0.000 1.048 382 K CA 1.774 57.956 56.287 -0.176 0.000 0.928 382 K CB -0.258 32.190 32.500 -0.087 0.000 0.713 382 K HN 0.285 nan 8.250 nan 0.000 0.442 383 S N 1.648 117.312 115.700 -0.060 0.000 2.368 383 S HA -0.097 4.373 4.470 0.000 0.000 0.225 383 S C 1.985 176.559 174.600 -0.044 0.000 1.030 383 S CA 1.031 59.207 58.200 -0.041 0.000 0.999 383 S CB -0.277 62.915 63.200 -0.014 0.000 0.844 383 S HN 0.193 nan 8.310 nan 0.000 0.459 384 L N 1.278 122.482 121.223 -0.033 0.000 2.141 384 L HA -0.126 4.214 4.340 0.000 0.000 0.209 384 L C 2.755 179.589 176.870 -0.059 0.000 1.094 384 L CA 1.066 55.898 54.840 -0.014 0.000 0.763 384 L CB -0.565 41.530 42.059 0.059 0.000 0.908 384 L HN 0.367 nan 8.230 nan 0.000 0.437 385 Q N -0.221 119.485 119.800 -0.157 0.000 2.170 385 Q HA -0.201 4.139 4.340 0.000 0.000 0.203 385 Q C 1.681 177.619 176.000 -0.104 0.000 0.976 385 Q CA 1.318 57.014 55.803 -0.178 0.000 0.858 385 Q CB -0.075 28.470 28.738 -0.321 0.000 0.907 385 Q HN 0.489 nan 8.270 nan 0.000 0.433 386 D N 0.723 121.071 120.400 -0.088 0.000 2.117 386 D HA -0.133 4.507 4.640 0.000 0.000 0.197 386 D C 1.852 178.129 176.300 -0.039 0.000 0.987 386 D CA 1.016 54.981 54.000 -0.057 0.000 0.829 386 D CB -0.111 40.659 40.800 -0.049 0.000 0.961 386 D HN 0.268 nan 8.370 nan 0.000 0.460 387 I N 0.686 121.236 120.570 -0.032 0.000 2.202 387 I HA -0.206 3.964 4.170 0.000 0.000 0.242 387 I C 2.410 178.519 176.117 -0.014 0.000 1.091 387 I CA 0.649 61.938 61.300 -0.018 0.000 1.368 387 I CB -0.199 37.795 38.000 -0.010 0.000 1.058 387 I HN -0.076 nan 8.210 nan 0.000 0.410 388 I N 1.188 121.749 120.570 -0.015 0.000 2.248 388 I HA -0.333 3.837 4.170 0.000 0.000 0.248 388 I C 2.747 178.857 176.117 -0.012 0.000 1.107 388 I CA 1.375 62.670 61.300 -0.008 0.000 1.373 388 I CB -0.519 37.479 38.000 -0.004 0.000 1.055 388 I HN 0.214 nan 8.210 nan 0.000 0.418 389 A N 0.410 123.216 122.820 -0.023 0.000 2.024 389 A HA -0.150 4.170 4.320 0.000 0.000 0.220 389 A C 2.209 179.785 177.584 -0.014 0.000 1.164 389 A CA 1.683 53.707 52.037 -0.021 0.000 0.643 389 A CB -0.530 18.453 19.000 -0.029 0.000 0.806 389 A HN 0.477 nan 8.150 nan 0.000 0.451 390 I N -1.795 118.767 120.570 -0.012 0.000 3.194 390 I HA 0.045 4.215 4.170 0.000 0.000 0.271 390 I C 2.057 178.171 176.117 -0.005 0.000 1.150 390 I CA 0.320 61.614 61.300 -0.009 0.000 1.440 390 I CB -0.030 37.964 38.000 -0.009 0.000 1.276 390 I HN 0.158 nan 8.210 nan 0.000 0.457 391 L N 0.486 121.707 121.223 -0.004 0.000 2.270 391 L HA 0.235 4.575 4.340 0.000 0.000 0.210 391 L C 1.026 177.897 176.870 0.002 0.000 1.104 391 L CA 0.563 55.403 54.840 -0.000 0.000 0.804 391 L CB -0.670 41.389 42.059 0.001 0.000 0.937 391 L HN 0.469 nan 8.230 nan 0.000 0.450 392 G N -1.021 107.781 108.800 0.002 0.000 2.781 392 G HA2 -0.245 3.715 3.960 0.000 0.000 0.683 392 G HA3 -0.245 3.715 3.960 0.000 0.000 0.683 392 G C 0.212 175.118 174.900 0.011 0.000 1.390 392 G CA -0.266 44.837 45.100 0.006 0.000 0.850 392 G HN -0.144 nan 8.290 nan 0.000 0.557 393 M N 0.118 119.727 119.600 0.015 0.000 2.156 393 M HA 0.005 4.485 4.480 0.000 0.000 0.264 393 M C 2.117 178.427 176.300 0.017 0.000 1.067 393 M CA 1.953 57.265 55.300 0.020 0.000 1.131 393 M CB -1.140 31.474 32.600 0.024 0.000 1.368 393 M HN 0.673 nan 8.290 nan 0.000 0.416 394 D N -0.152 120.256 120.400 0.013 0.000 2.218 394 D HA -0.178 4.462 4.640 0.000 0.000 0.204 394 D C 1.665 177.971 176.300 0.010 0.000 0.976 394 D CA 0.959 54.966 54.000 0.011 0.000 0.853 394 D CB -0.050 40.755 40.800 0.010 0.000 0.939 394 D HN 0.528 nan 8.370 nan 0.000 0.481 395 E N 0.081 120.287 120.200 0.010 0.000 2.371 395 E HA 0.019 4.369 4.350 0.000 0.000 0.194 395 E C 0.700 177.306 176.600 0.009 0.000 1.012 395 E CA -0.176 56.228 56.400 0.008 0.000 0.860 395 E CB 0.297 30.000 29.700 0.006 0.000 0.811 395 E HN 0.192 nan 8.360 nan 0.000 0.502 396 L N 1.927 123.157 121.223 0.012 0.000 2.483 396 L HA -0.005 4.335 4.340 0.000 0.000 0.276 396 L C 0.816 177.693 176.870 0.012 0.000 1.213 396 L CA -0.295 54.554 54.840 0.014 0.000 0.843 396 L CB 0.662 42.733 42.059 0.021 0.000 1.107 396 L HN 0.135 nan 8.230 nan 0.000 0.487 397 S N 1.254 116.960 115.700 0.011 0.000 2.576 397 S HA 0.005 4.475 4.470 0.000 0.000 0.272 397 S C 0.931 175.537 174.600 0.010 0.000 1.352 397 S CA -0.639 57.566 58.200 0.009 0.000 1.021 397 S CB 0.917 64.123 63.200 0.009 0.000 0.887 397 S HN 0.591 nan 8.310 nan 0.000 0.542 398 E N 1.015 121.220 120.200 0.008 0.000 2.153 398 E HA -0.182 4.168 4.350 0.000 0.000 0.194 398 E C 1.829 178.433 176.600 0.006 0.000 0.988 398 E CA 1.278 57.681 56.400 0.006 0.000 0.811 398 E CB -0.351 29.352 29.700 0.004 0.000 0.746 398 E HN 0.916 nan 8.360 nan 0.000 0.466 399 E N 0.726 120.929 120.200 0.006 0.000 2.077 399 E HA -0.185 4.165 4.350 0.000 0.000 0.193 399 E C 1.262 177.868 176.600 0.010 0.000 0.989 399 E CA 1.080 57.484 56.400 0.006 0.000 0.800 399 E CB 0.197 29.901 29.700 0.006 0.000 0.746 399 E HN 0.131 nan 8.360 nan 0.000 0.452 400 D N 0.541 120.950 120.400 0.015 0.000 2.103 400 D HA -0.108 4.532 4.640 0.000 0.000 0.199 400 D C 1.873 178.189 176.300 0.028 0.000 0.978 400 D CA 0.928 54.943 54.000 0.025 0.000 0.829 400 D CB -0.132 40.684 40.800 0.028 0.000 0.981 400 D HN 0.126 nan 8.370 nan 0.000 0.464 401 K N 0.218 120.630 120.400 0.021 0.000 2.113 401 K HA -0.153 4.167 4.320 0.000 0.000 0.208 401 K C 2.012 178.613 176.600 0.002 0.000 1.047 401 K CA 0.540 56.837 56.287 0.017 0.000 0.928 401 K CB -0.157 32.351 32.500 0.013 0.000 0.716 401 K HN 0.021 nan 8.250 nan 0.000 0.446 402 L N 1.005 122.226 121.223 -0.002 0.000 2.056 402 L HA -0.150 4.190 4.340 0.000 0.000 0.207 402 L C 1.978 178.831 176.870 -0.028 0.000 1.078 402 L CA 1.879 56.710 54.840 -0.015 0.000 0.749 402 L CB -0.658 41.395 42.059 -0.010 0.000 0.901 402 L HN 0.125 nan 8.230 nan 0.000 0.433 403 T N -1.302 113.245 114.554 -0.013 0.000 2.746 403 T HA -0.164 4.186 4.350 0.000 0.000 0.267 403 T C 1.964 176.630 174.700 -0.056 0.000 1.039 403 T CA 1.649 63.740 62.100 -0.016 0.000 1.142 403 T CB -0.379 68.502 68.868 0.023 0.000 0.866 403 T HN 0.183 nan 8.240 nan 0.000 0.444 404 V N 1.583 121.485 119.914 -0.020 0.000 2.295 404 V HA -0.179 3.941 4.120 0.000 0.000 0.246 404 V C 2.719 178.705 176.094 -0.181 0.000 1.049 404 V CA 1.870 64.130 62.300 -0.067 0.000 1.024 404 V CB -0.941 30.937 31.823 0.093 0.000 0.648 404 V HN 0.440 nan 8.190 nan 0.000 0.447 405 S N -0.182 115.457 115.700 -0.101 0.000 2.359 405 S HA -0.262 4.208 4.470 0.000 0.000 0.223 405 S C 2.105 176.605 174.600 -0.167 0.000 1.039 405 S CA 1.899 60.034 58.200 -0.108 0.000 1.042 405 S CB -0.385 62.778 63.200 -0.062 0.000 0.915 405 S HN 0.521 nan 8.310 nan 0.000 0.439 406 R N 1.069 121.476 120.500 -0.155 0.000 2.073 406 R HA 0.020 4.360 4.340 0.000 0.000 0.234 406 R C 2.660 178.833 176.300 -0.213 0.000 1.134 406 R CA 1.192 57.188 56.100 -0.174 0.000 0.952 406 R CB -0.577 29.656 30.300 -0.111 0.000 0.850 406 R HN 0.422 nan 8.270 nan 0.000 0.433 407 A N 1.149 123.807 122.820 -0.269 0.000 1.940 407 A HA -0.192 4.128 4.320 0.000 0.000 0.219 407 A C 2.072 179.412 177.584 -0.407 0.000 1.176 407 A CA 1.338 53.158 52.037 -0.362 0.000 0.631 407 A CB -0.363 18.279 19.000 -0.596 0.000 0.814 407 A HN 0.228 nan 8.150 nan 0.000 0.446 408 R N -0.590 119.646 120.500 -0.440 0.000 2.090 408 R HA -0.059 4.281 4.340 0.000 0.000 0.228 408 R C 2.176 178.376 176.300 -0.166 0.000 1.110 408 R CA 1.534 57.465 56.100 -0.281 0.000 0.973 408 R CB -0.206 29.968 30.300 -0.210 0.000 0.869 408 R HN 0.495 nan 8.270 nan 0.000 0.440 409 K N 0.417 120.672 120.400 -0.243 0.000 2.057 409 K HA -0.096 4.224 4.320 0.000 0.000 0.207 409 K C 1.981 178.434 176.600 -0.245 0.000 1.049 409 K CA 1.224 57.275 56.287 -0.393 0.000 0.931 409 K CB -0.089 31.934 32.500 -0.795 0.000 0.714 409 K HN 0.104 nan 8.250 nan 0.000 0.440 410 I N 1.312 121.808 120.570 -0.123 0.000 2.142 410 I HA -0.341 3.829 4.170 0.000 0.000 0.240 410 I C 2.500 178.750 176.117 0.223 0.000 1.078 410 I CA 1.412 62.794 61.300 0.136 0.000 1.343 410 I CB -0.242 37.842 38.000 0.140 0.000 1.046 410 I HN 0.229 nan 8.210 nan 0.000 0.405 411 Q N 0.220 120.076 119.800 0.093 0.000 2.133 411 Q HA -0.277 4.063 4.340 0.000 0.000 0.208 411 Q C 2.399 178.496 176.000 0.163 0.000 0.991 411 Q CA 1.854 57.724 55.803 0.112 0.000 0.867 411 Q CB -0.152 28.626 28.738 0.066 0.000 0.911 411 Q HN 0.464 nan 8.270 nan 0.000 0.417 412 R N -0.884 119.723 120.500 0.177 0.000 2.093 412 R HA -0.048 4.292 4.340 0.000 0.000 0.224 412 R C 1.881 178.363 176.300 0.303 0.000 1.101 412 R CA 0.660 56.923 56.100 0.272 0.000 0.979 412 R CB -0.147 30.332 30.300 0.299 0.000 0.877 412 R HN 0.147 nan 8.270 nan 0.000 0.441 413 F N 1.049 121.073 119.950 0.123 0.000 2.451 413 F HA -0.013 4.515 4.527 0.000 0.000 0.299 413 F C 1.403 177.319 175.800 0.194 0.000 1.101 413 F CA 0.951 58.992 58.000 0.067 0.000 1.436 413 F CB 0.076 38.962 39.000 -0.191 0.000 1.074 413 F HN -0.060 nan 8.300 nan 0.000 0.553 414 L N -0.513 120.873 121.223 0.273 0.000 2.395 414 L HA -0.038 4.302 4.340 0.000 0.000 0.218 414 L C 1.462 178.356 176.870 0.040 0.000 1.130 414 L CA 0.344 55.303 54.840 0.198 0.000 0.826 414 L CB -0.769 41.396 42.059 0.177 0.000 0.941 414 L HN 0.099 nan 8.230 nan 0.000 0.451 415 S N -0.379 115.332 115.700 0.018 0.000 2.614 415 S HA 0.348 4.818 4.470 0.000 0.000 0.265 415 S C -0.298 174.217 174.600 -0.142 0.000 1.303 415 S CA -0.493 57.669 58.200 -0.063 0.000 1.000 415 S CB 1.864 65.024 63.200 -0.067 0.000 0.935 415 S HN 0.268 nan 8.310 nan 0.000 0.551 416 Q N 0.410 120.102 119.800 -0.180 0.000 2.443 416 Q HA 0.332 4.672 4.340 0.000 0.000 0.258 416 Q C -3.122 172.790 176.000 -0.148 0.000 0.967 416 Q CA -1.659 54.064 55.803 -0.133 0.000 0.951 416 Q CB 2.184 30.914 28.738 -0.014 0.000 1.459 416 Q HN 0.547 nan 8.270 nan 0.000 0.415 417 P HA 0.168 nan 4.420 nan 0.000 0.276 417 P C -0.977 176.454 177.300 0.218 0.000 1.243 417 P CA -0.007 63.112 63.100 0.032 0.000 0.768 417 P CB 0.207 31.937 31.700 0.050 0.000 0.856 418 F N 1.945 121.913 119.950 0.030 0.000 2.385 418 F HA 0.243 4.770 4.527 0.000 0.000 0.336 418 F C 2.108 177.904 175.800 -0.007 0.000 1.100 418 F CA -0.989 57.022 58.000 0.019 0.000 1.116 418 F CB 0.949 39.973 39.000 0.039 0.000 1.166 418 F HN 0.432 nan 8.300 nan 0.000 0.511 419 Q N 1.529 121.408 119.800 0.133 0.000 2.181 419 Q HA -0.115 4.225 4.340 0.000 0.000 0.205 419 Q C 1.615 177.614 176.000 -0.002 0.000 0.980 419 Q CA 1.315 57.139 55.803 0.034 0.000 0.862 419 Q CB 0.090 28.820 28.738 -0.013 0.000 0.905 419 Q HN 0.563 nan 8.270 nan 0.000 0.429 420 V N -0.071 119.850 119.914 0.012 0.000 3.217 420 V HA 0.036 4.156 4.120 0.000 0.000 0.264 420 V C 1.388 177.414 176.094 -0.114 0.000 1.135 420 V CA 1.243 63.518 62.300 -0.043 0.000 1.142 420 V CB 0.123 31.931 31.823 -0.024 0.000 0.754 420 V HN 0.447 nan 8.190 nan 0.000 0.484 421 A N -1.221 121.580 122.820 -0.031 0.000 2.387 421 A HA 0.181 4.501 4.320 0.000 0.000 0.234 421 A C 1.596 179.050 177.584 -0.216 0.000 1.253 421 A CA 0.054 51.996 52.037 -0.158 0.000 0.894 421 A CB -0.252 18.874 19.000 0.210 0.000 0.963 421 A HN 0.566 nan 8.150 nan 0.000 0.508 422 E N 0.049 120.156 120.200 -0.155 0.000 2.455 422 E HA -0.139 4.211 4.350 0.000 0.000 0.202 422 E C 1.775 178.253 176.600 -0.204 0.000 1.045 422 E CA 1.217 57.540 56.400 -0.128 0.000 0.872 422 E CB -0.199 29.454 29.700 -0.079 0.000 0.792 422 E HN 0.698 nan 8.360 nan 0.000 0.542 423 V N -2.816 116.877 119.914 -0.369 0.000 2.725 423 V HA -0.083 4.037 4.120 0.000 0.000 0.247 423 V C 1.857 177.777 176.094 -0.291 0.000 1.058 423 V CA 0.843 62.920 62.300 -0.371 0.000 1.080 423 V CB -0.728 30.818 31.823 -0.462 0.000 0.713 423 V HN 0.115 nan 8.190 nan 0.000 0.465 424 F N 2.683 122.586 119.950 -0.079 0.000 2.128 424 F HA -0.043 4.484 4.527 0.000 0.000 0.295 424 F C 2.819 178.548 175.800 -0.119 0.000 1.100 424 F CA 1.752 59.699 58.000 -0.089 0.000 1.260 424 F CB -0.768 38.170 39.000 -0.103 0.000 1.009 424 F HN 0.327 nan 8.300 nan 0.000 0.476 425 T N -3.792 110.753 114.554 -0.016 0.000 3.042 425 T HA 0.425 4.775 4.350 0.000 0.000 0.245 425 T C 1.822 176.241 174.700 -0.467 0.000 1.029 425 T CA 0.633 62.574 62.100 -0.265 0.000 1.120 425 T CB 0.244 68.912 68.868 -0.334 0.000 0.917 425 T HN 0.438 nan 8.240 nan 0.000 0.467 426 G N 1.307 109.926 108.800 -0.302 0.000 2.175 426 G HA2 -0.199 3.761 3.960 0.000 0.000 0.244 426 G HA3 -0.199 3.761 3.960 0.000 0.000 0.244 426 G C -0.115 174.715 174.900 -0.118 0.000 0.982 426 G CA 0.081 45.059 45.100 -0.203 0.000 0.641 426 G HN 0.832 nan 8.290 nan 0.000 0.527 427 H N -0.638 118.435 119.070 0.005 0.000 2.487 427 H HA 0.574 5.130 4.556 0.000 0.000 0.333 427 H C 0.302 175.628 175.328 -0.003 0.000 1.114 427 H CA -1.025 55.024 56.048 0.002 0.000 1.310 427 H CB 1.828 31.591 29.762 0.002 0.000 1.462 427 H HN 0.186 nan 8.280 nan 0.000 0.516 428 L N 2.392 123.689 121.223 0.122 0.000 2.416 428 L HA 0.181 4.521 4.340 0.000 0.000 0.272 428 L C 0.949 177.857 176.870 0.063 0.000 1.161 428 L CA 0.277 55.154 54.840 0.061 0.000 0.845 428 L CB 0.456 42.538 42.059 0.039 0.000 1.119 428 L HN 0.850 nan 8.230 nan 0.000 0.464 429 G N 4.016 112.849 108.800 0.055 0.000 2.559 429 G HA2 0.222 4.182 3.960 0.000 0.000 0.235 429 G HA3 0.222 4.182 3.960 0.000 0.000 0.235 429 G C -0.602 174.333 174.900 0.059 0.000 1.266 429 G CA -0.462 44.684 45.100 0.076 0.000 0.847 429 G HN 0.500 nan 8.290 nan 0.000 0.583 430 K N 0.728 121.174 120.400 0.077 0.000 2.427 430 K HA 0.437 4.757 4.320 0.000 0.000 0.252 430 K C -1.222 175.408 176.600 0.050 0.000 0.931 430 K CA -0.747 55.569 56.287 0.049 0.000 0.793 430 K CB 2.736 35.255 32.500 0.032 0.000 1.211 430 K HN 0.344 nan 8.250 nan 0.000 0.426 431 L N 2.295 123.534 121.223 0.026 0.000 2.325 431 L HA 0.421 4.761 4.340 0.000 0.000 0.281 431 L C -1.114 175.766 176.870 0.017 0.000 1.004 431 L CA -0.840 54.011 54.840 0.018 0.000 0.823 431 L CB 1.700 43.762 42.059 0.005 0.000 1.236 431 L HN 0.259 nan 8.230 nan 0.000 0.415 432 V N 6.173 126.097 119.914 0.017 0.000 2.357 432 V HA 0.438 4.558 4.120 0.000 0.000 0.284 432 V C -2.076 174.033 176.094 0.024 0.000 1.018 432 V CA -1.741 60.571 62.300 0.021 0.000 0.841 432 V CB 1.265 33.093 31.823 0.010 0.000 0.991 432 V HN 0.644 nan 8.190 nan 0.000 0.437 433 P HA 0.088 nan 4.420 nan 0.000 0.269 433 P C 0.775 178.093 177.300 0.030 0.000 1.215 433 P CA -0.346 62.770 63.100 0.028 0.000 0.780 433 P CB 0.760 32.478 31.700 0.030 0.000 0.898 434 L N 3.610 124.846 121.223 0.022 0.000 1.990 434 L HA -0.223 4.117 4.340 0.000 0.000 0.213 434 L C 1.911 178.779 176.870 -0.003 0.000 1.072 434 L CA 2.099 56.940 54.840 0.002 0.000 0.755 434 L CB -1.044 41.021 42.059 0.010 0.000 0.889 434 L HN 0.268 nan 8.230 nan 0.000 0.432 435 K N -0.803 119.607 120.400 0.017 0.000 2.152 435 K HA -0.161 4.159 4.320 0.000 0.000 0.206 435 K C 1.996 178.626 176.600 0.051 0.000 1.048 435 K CA 1.301 57.604 56.287 0.027 0.000 0.933 435 K CB -0.098 32.423 32.500 0.034 0.000 0.721 435 K HN 0.361 nan 8.250 nan 0.000 0.447 436 E N 0.061 120.298 120.200 0.061 0.000 2.072 436 E HA -0.107 4.243 4.350 0.000 0.000 0.191 436 E C 2.050 178.736 176.600 0.143 0.000 0.985 436 E CA 1.194 57.648 56.400 0.090 0.000 0.801 436 E CB -0.303 29.445 29.700 0.079 0.000 0.750 436 E HN 0.241 nan 8.360 nan 0.000 0.452 437 T N 1.748 116.384 114.554 0.138 0.000 2.684 437 T HA -0.108 4.243 4.350 0.000 0.000 0.267 437 T C 2.136 177.032 174.700 0.327 0.000 1.036 437 T CA 1.077 63.320 62.100 0.238 0.000 1.148 437 T CB -0.238 68.718 68.868 0.145 0.000 0.863 437 T HN 0.102 nan 8.240 nan 0.000 0.436 438 I N 0.760 121.413 120.570 0.139 0.000 2.179 438 I HA -0.194 3.976 4.170 0.000 0.000 0.242 438 I C 2.621 178.841 176.117 0.172 0.000 1.088 438 I CA 1.381 62.746 61.300 0.108 0.000 1.357 438 I CB -0.336 37.651 38.000 -0.023 0.000 1.051 438 I HN 0.187 nan 8.210 nan 0.000 0.409 439 K N 1.107 121.587 120.400 0.134 0.000 2.009 439 K HA -0.190 4.130 4.320 0.000 0.000 0.210 439 K C 2.154 178.829 176.600 0.126 0.000 1.049 439 K CA 1.846 58.202 56.287 0.115 0.000 0.929 439 K CB -0.517 32.037 32.500 0.091 0.000 0.714 439 K HN 0.386 nan 8.250 nan 0.000 0.440 440 G N 0.228 109.109 108.800 0.135 0.000 2.446 440 G HA2 -0.247 3.713 3.960 0.000 0.000 0.217 440 G HA3 -0.247 3.713 3.960 0.000 0.000 0.217 440 G C 1.288 176.125 174.900 -0.105 0.000 1.168 440 G CA 0.977 46.064 45.100 -0.021 0.000 0.771 440 G HN 0.307 nan 8.290 nan 0.000 0.551 441 F N 0.367 120.417 119.950 0.166 0.000 2.206 441 F HA 0.045 4.572 4.527 0.000 0.000 0.298 441 F C 2.913 178.749 175.800 0.059 0.000 1.090 441 F CA 1.363 59.434 58.000 0.118 0.000 1.323 441 F CB -0.261 38.819 39.000 0.134 0.000 1.028 441 F HN 0.140 nan 8.300 nan 0.000 0.492 442 Q N 0.346 120.280 119.800 0.223 0.000 2.045 442 Q HA -0.285 4.055 4.340 0.000 0.000 0.206 442 Q C 2.188 178.235 176.000 0.079 0.000 0.991 442 Q CA 2.103 57.983 55.803 0.128 0.000 0.851 442 Q CB -0.137 28.664 28.738 0.104 0.000 0.911 442 Q HN 0.482 nan 8.270 nan 0.000 0.418 443 Q N -0.205 119.640 119.800 0.075 0.000 2.084 443 Q HA -0.149 4.191 4.340 0.000 0.000 0.202 443 Q C 2.140 178.161 176.000 0.035 0.000 0.978 443 Q CA 1.393 57.220 55.803 0.039 0.000 0.844 443 Q CB -0.076 28.729 28.738 0.111 0.000 0.898 443 Q HN 0.464 nan 8.270 nan 0.000 0.426 444 I N 0.563 121.172 120.570 0.066 0.000 2.179 444 I HA -0.308 3.862 4.170 0.000 0.000 0.242 444 I C 2.144 178.252 176.117 -0.016 0.000 1.088 444 I CA 1.175 62.475 61.300 0.001 0.000 1.357 444 I CB -0.224 37.678 38.000 -0.163 0.000 1.051 444 I HN 0.198 nan 8.210 nan 0.000 0.409 445 L N 0.395 121.632 121.223 0.023 0.000 2.131 445 L HA -0.175 4.165 4.340 0.000 0.000 0.210 445 L C 2.630 179.501 176.870 0.002 0.000 1.092 445 L CA 1.164 56.016 54.840 0.020 0.000 0.759 445 L CB -0.576 41.514 42.059 0.053 0.000 0.903 445 L HN 0.243 nan 8.230 nan 0.000 0.435 446 A N -0.638 122.181 122.820 -0.002 0.000 2.167 446 A HA 0.191 4.511 4.320 0.000 0.000 0.214 446 A C 1.748 179.309 177.584 -0.038 0.000 1.151 446 A CA 0.941 52.967 52.037 -0.019 0.000 0.735 446 A CB -0.416 18.570 19.000 -0.023 0.000 0.802 446 A HN 0.535 nan 8.150 nan 0.000 0.467 447 G N -0.884 107.889 108.800 -0.045 0.000 2.134 447 G HA2 -0.219 3.741 3.960 0.000 0.000 0.209 447 G HA3 -0.219 3.741 3.960 0.000 0.000 0.209 447 G C 0.372 175.227 174.900 -0.074 0.000 0.993 447 G CA 0.467 45.540 45.100 -0.044 0.000 0.669 447 G HN 0.560 nan 8.290 nan 0.000 0.519 448 E N -1.050 119.048 120.200 -0.170 0.000 2.347 448 E HA 0.069 4.419 4.350 0.000 0.000 0.196 448 E C 0.755 177.061 176.600 -0.490 0.000 1.008 448 E CA 0.726 56.902 56.400 -0.374 0.000 0.852 448 E CB 0.002 29.375 29.700 -0.545 0.000 0.783 448 E HN 0.775 nan 8.360 nan 0.000 0.505 449 Y N -0.416 119.943 120.300 0.099 0.000 2.716 449 Y HA 0.136 4.686 4.550 0.000 0.000 0.260 449 Y C 0.660 176.587 175.900 0.044 0.000 1.141 449 Y CA -0.628 57.533 58.100 0.100 0.000 1.168 449 Y CB 0.641 39.224 38.460 0.204 0.000 1.189 449 Y HN -0.100 nan 8.280 nan 0.000 0.549 450 D N 0.029 120.532 120.400 0.171 0.000 2.311 450 D HA -0.177 4.463 4.640 0.000 0.000 0.212 450 D C 1.920 178.300 176.300 0.135 0.000 0.972 450 D CA 1.418 55.481 54.000 0.104 0.000 0.887 450 D CB -0.100 40.740 40.800 0.067 0.000 0.915 450 D HN 0.621 nan 8.370 nan 0.000 0.497 451 H N -0.832 118.282 119.070 0.073 0.000 2.553 451 H HA 0.173 4.729 4.556 0.000 0.000 0.265 451 H C 0.522 175.897 175.328 0.077 0.000 0.964 451 H CA -0.092 55.990 56.048 0.057 0.000 1.156 451 H CB -0.118 29.664 29.762 0.034 0.000 1.411 451 H HN 0.073 nan 8.280 nan 0.000 0.558 452 L N 2.881 123.957 121.223 -0.244 0.000 2.334 452 L HA 0.408 4.748 4.340 0.000 0.000 0.275 452 L C -2.163 174.731 176.870 0.041 0.000 1.036 452 L CA -2.325 52.428 54.840 -0.145 0.000 0.807 452 L CB 1.488 43.428 42.059 -0.199 0.000 1.231 452 L HN -0.014 nan 8.230 nan 0.000 0.438 453 P HA 0.058 nan 4.420 nan 0.000 0.275 453 P C 0.069 177.462 177.300 0.157 0.000 1.228 453 P CA -0.435 62.694 63.100 0.048 0.000 0.786 453 P CB 0.664 32.361 31.700 -0.006 0.000 0.927 454 E N 2.095 122.384 120.200 0.149 0.000 2.209 454 E HA -0.301 4.049 4.350 0.000 0.000 0.196 454 E C 1.669 178.421 176.600 0.255 0.000 0.993 454 E CA 0.968 57.497 56.400 0.215 0.000 0.819 454 E CB -0.407 29.327 29.700 0.057 0.000 0.745 454 E HN 0.565 nan 8.360 nan 0.000 0.477 455 Q N 1.155 121.032 119.800 0.128 0.000 2.226 455 Q HA -0.143 4.197 4.340 0.000 0.000 0.204 455 Q C 2.126 178.185 176.000 0.100 0.000 0.975 455 Q CA 1.362 57.225 55.803 0.100 0.000 0.866 455 Q CB -0.204 28.555 28.738 0.036 0.000 0.915 455 Q HN 0.387 nan 8.270 nan 0.000 0.440 456 A N -0.019 122.800 122.820 -0.003 0.000 2.019 456 A HA -0.104 4.216 4.320 0.000 0.000 0.219 456 A C 1.294 178.690 177.584 -0.314 0.000 1.164 456 A CA 0.884 52.786 52.037 -0.226 0.000 0.644 456 A CB -0.553 18.179 19.000 -0.446 0.000 0.805 456 A HN 0.511 nan 8.150 nan 0.000 0.449 457 F N -2.701 117.249 119.950 0.000 0.000 2.776 457 F HA 0.196 4.723 4.527 0.000 0.000 0.300 457 F C 0.702 176.608 175.800 0.178 0.000 1.116 457 F CA -0.351 57.686 58.000 0.062 0.000 1.375 457 F CB -0.221 38.784 39.000 0.008 0.000 1.109 457 F HN 0.268 nan 8.300 nan 0.000 0.585 458 Y N 1.883 122.276 120.300 0.156 0.000 2.402 458 Y HA 0.282 4.832 4.550 0.000 0.000 0.333 458 Y C 0.661 176.587 175.900 0.044 0.000 1.076 458 Y CA -1.465 56.693 58.100 0.097 0.000 1.299 458 Y CB 0.216 38.715 38.460 0.066 0.000 1.197 458 Y HN 0.060 nan 8.280 nan 0.000 0.517 459 M N 5.729 125.019 119.600 -0.518 0.000 2.298 459 M HA -0.167 4.313 4.480 0.000 0.000 0.196 459 M C -1.022 175.155 176.300 -0.205 0.000 0.531 459 M CA 0.970 55.998 55.300 -0.453 0.000 0.459 459 M CB -2.811 29.415 32.600 -0.623 0.000 1.279 459 M HN 0.413 nan 8.290 nan 0.000 0.915 460 V N -3.148 116.699 119.914 -0.111 0.000 3.181 460 V HA 1.088 5.208 4.120 0.000 0.000 0.314 460 V C 0.848 176.907 176.094 -0.059 0.000 1.173 460 V CA -0.066 62.201 62.300 -0.055 0.000 1.052 460 V CB 1.548 33.371 31.823 -0.001 0.000 1.123 460 V HN 0.398 nan 8.190 nan 0.000 0.454 461 G N 0.163 108.950 108.800 -0.021 0.000 2.964 461 G HA2 0.438 4.398 3.960 0.000 0.000 0.191 461 G HA3 0.438 4.398 3.960 0.000 0.000 0.191 461 G C -2.140 172.773 174.900 0.023 0.000 1.978 461 G CA -0.095 44.991 45.100 -0.023 0.000 0.861 461 G HN 0.782 nan 8.290 nan 0.000 0.584 462 P HA 0.193 nan 4.420 nan 0.000 0.276 462 P C 0.685 178.119 177.300 0.224 0.000 1.261 462 P CA -0.589 62.612 63.100 0.169 0.000 0.800 462 P CB 1.650 33.400 31.700 0.084 0.000 1.066 463 I N 0.563 121.237 120.570 0.173 0.000 2.423 463 I HA -0.254 3.917 4.170 0.000 0.000 0.254 463 I C 1.865 177.849 176.117 -0.223 0.000 1.151 463 I CA 1.795 62.987 61.300 -0.180 0.000 1.421 463 I CB -0.551 37.284 38.000 -0.274 0.000 1.079 463 I HN 0.289 nan 8.210 nan 0.000 0.431 464 E N 0.230 120.378 120.200 -0.088 0.000 2.204 464 E HA -0.203 4.147 4.350 0.000 0.000 0.194 464 E C 2.043 178.577 176.600 -0.110 0.000 0.989 464 E CA 1.076 57.425 56.400 -0.086 0.000 0.824 464 E CB -0.152 29.531 29.700 -0.027 0.000 0.756 464 E HN 0.554 nan 8.360 nan 0.000 0.477 465 E N 0.041 120.188 120.200 -0.088 0.000 2.152 465 E HA -0.106 4.244 4.350 0.000 0.000 0.192 465 E C 1.949 178.442 176.600 -0.177 0.000 0.983 465 E CA 0.722 57.064 56.400 -0.096 0.000 0.818 465 E CB -0.036 29.635 29.700 -0.048 0.000 0.758 465 E HN 0.284 nan 8.360 nan 0.000 0.467 466 A N 0.701 123.354 122.820 -0.279 0.000 1.873 466 A HA -0.134 4.186 4.320 0.000 0.000 0.215 466 A C 2.443 179.700 177.584 -0.544 0.000 1.186 466 A CA 1.047 52.765 52.037 -0.532 0.000 0.616 466 A CB -0.617 17.821 19.000 -0.937 0.000 0.823 466 A HN 0.118 nan 8.150 nan 0.000 0.442 467 V N -0.063 119.572 119.914 -0.464 0.000 2.392 467 V HA -0.264 3.856 4.120 0.000 0.000 0.249 467 V C 2.983 178.961 176.094 -0.193 0.000 1.059 467 V CA 2.028 64.145 62.300 -0.304 0.000 1.051 467 V CB -1.207 30.520 31.823 -0.161 0.000 0.658 467 V HN 0.615 nan 8.190 nan 0.000 0.455 468 A N -0.445 122.277 122.820 -0.164 0.000 1.930 468 A HA -0.175 4.145 4.320 0.000 0.000 0.215 468 A C 2.337 179.852 177.584 -0.115 0.000 1.176 468 A CA 1.736 53.707 52.037 -0.109 0.000 0.632 468 A CB -0.405 18.546 19.000 -0.082 0.000 0.819 468 A HN 0.504 nan 8.150 nan 0.000 0.445 469 K N -0.047 120.261 120.400 -0.152 0.000 2.057 469 K HA -0.105 4.215 4.320 0.000 0.000 0.207 469 K C 2.084 178.605 176.600 -0.133 0.000 1.049 469 K CA 1.224 57.429 56.287 -0.137 0.000 0.931 469 K CB -0.323 32.083 32.500 -0.156 0.000 0.714 469 K HN 0.352 nan 8.250 nan 0.000 0.440 470 A N 1.303 124.011 122.820 -0.186 0.000 1.978 470 A HA -0.196 4.124 4.320 0.000 0.000 0.220 470 A C 1.553 179.080 177.584 -0.094 0.000 1.170 470 A CA 2.055 53.998 52.037 -0.157 0.000 0.636 470 A CB -0.459 18.413 19.000 -0.214 0.000 0.810 470 A HN 0.383 nan 8.150 nan 0.000 0.448 471 D N -0.554 119.797 120.400 -0.081 0.000 2.123 471 D HA -0.050 4.590 4.640 0.000 0.000 0.200 471 D C 1.947 178.228 176.300 -0.031 0.000 0.976 471 D CA 1.200 55.172 54.000 -0.045 0.000 0.831 471 D CB -0.173 40.604 40.800 -0.039 0.000 0.974 471 D HN 0.336 nan 8.370 nan 0.000 0.469 472 K N 0.167 120.545 120.400 -0.038 0.000 2.026 472 K HA -0.004 4.316 4.320 0.000 0.000 0.208 472 K C 2.132 178.727 176.600 -0.008 0.000 1.048 472 K CA 0.573 56.847 56.287 -0.022 0.000 0.929 472 K CB -0.242 32.241 32.500 -0.028 0.000 0.713 472 K HN 0.101 nan 8.250 nan 0.000 0.439 473 L N -0.103 121.110 121.223 -0.016 0.000 2.141 473 L HA -0.139 4.201 4.340 0.000 0.000 0.209 473 L C 2.342 179.229 176.870 0.029 0.000 1.094 473 L CA 1.053 55.897 54.840 0.006 0.000 0.763 473 L CB -0.483 41.569 42.059 -0.013 0.000 0.908 473 L HN 0.208 nan 8.230 nan 0.000 0.437 474 A N -0.119 122.701 122.820 0.000 0.000 1.930 474 A HA -0.193 4.127 4.320 0.000 0.000 0.217 474 A C 2.192 179.811 177.584 0.058 0.000 1.175 474 A CA 1.454 53.496 52.037 0.010 0.000 0.627 474 A CB -0.317 18.674 19.000 -0.015 0.000 0.815 474 A HN 0.442 nan 8.150 nan 0.000 0.443 475 E N -0.150 120.072 120.200 0.038 0.000 2.072 475 E HA -0.164 4.186 4.350 0.000 0.000 0.191 475 E C 1.552 178.182 176.600 0.050 0.000 0.985 475 E CA 1.155 57.578 56.400 0.038 0.000 0.801 475 E CB -0.189 29.522 29.700 0.019 0.000 0.750 475 E HN 0.712 nan 8.360 nan 0.000 0.452 476 E N -0.076 120.156 120.200 0.053 0.000 2.516 476 E HA -0.059 4.291 4.350 0.000 0.000 0.199 476 E C 0.403 177.045 176.600 0.070 0.000 1.069 476 E CA 0.108 56.537 56.400 0.048 0.000 0.876 476 E CB 0.029 29.753 29.700 0.040 0.000 0.843 476 E HN 0.215 nan 8.360 nan 0.000 0.530 477 H N 0.000 119.070 119.070 -0.001 0.000 2.539 477 H HA 0.000 4.556 4.556 0.000 0.000 0.296 477 H CA 0.000 56.049 56.048 0.001 0.000 1.023 477 H CB 0.000 29.762 29.762 0.001 0.000 1.292 477 H HN 0.000 nan 8.280 nan 0.000 0.496